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Whewellite |
 |
Tazzoli V, Domeneghetti M C |
 |
American Mineralogist 65 (1980) 327-334 |
|
The crystal structures of whewellite and weddellite: re-examination and |
|
comparison |
|
_database_code_amcsd 0000776 |
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6.290 14.583 10.116 90 109.46 90 P2_1/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .9676 .1243 .0546 0.67 .00615 .00080 .00151 .00015 .00164 .00004 |
|
Ca2 .9968 .1236 .4357 0.66 .00600 .00084 .00145 -.00001 .00161 -.00001 |
|
C1 .9832 .3201 .2452 0.80 .00875 .00038 .00251 -.00023 .00210 .00007 |
|
C2 .0009 .4270 .2492 0.77 .00756 .00098 .00143 -.00001 .00186 -.00011 |
|
C3 .5189 .1266 .1812 1.07 .00592 .00177 .00256 -.00010 .00170 -.00004 |
|
C4 .4505 .1173 .3131 1.08 .00630 .00190 .00237 -.00010 .00207 -.00002 |
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O1 .9756 .2826 .1322 1.16 .01518 .00091 .00211 -.00028 .00334 -.00027 |
|
O2 .0066 .4659 .1395 1.14 .01471 .00086 .00231 -.00017 .00361 .00015 |
|
O3 .9799 .2819 .3550 1.17 .01596 .00088 .00213 -.00040 .00348 .00004 |
|
O4 .0073 .4658 .3614 1.21 .01574 .00091 .00242 -.00040 .00364 -.00037 |
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O5 .3614 .1418 .0690 2.20 .00672 .00553 .00262 .00067 .00137 .00094 |
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O6 .7245 .1227 .1974 1.16 .00601 .00219 .00259 .00025 .00214 .00014 |
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O7 .2438 .1229 .2957 1.31 .00490 .00268 .00293 .00002 .00190 -.00014 |
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O8 .6073 .1068 .4264 2.24 .00661 .00577 .00254 .00087 .00160 .00053 |
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H11 .4870 .3720 .0510 .85 5.00 |
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H21 .5100 .3640 .4260 .86 5.00 |
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H22 .5300 .3670 .3200 .86 5.00 |
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OW1 .3932 .3459 .1022 .85 1.81 .01124 .00317 .00358 .00052 .00298 .00099 |
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OW2 .5913 .3829 .3908 .86 4.48 .00834 .01332 .00280 -.00019 .00196 -.00091 |
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OW10 .388 .396 .099 .15 1.8 |
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OW20 .584 .409 .392 .14 4.5 |
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|
| |
|
Weddellite |
|
Tazzoli V, Domeneghetti M C |
|
American Mineralogist 65 (1980) 327-334 |
|
The crystal structures of whewellite and weddellite: re-examination and |
|
comparison |
|
_database_code_amcsd 0000777 |
|
12.371 12.371 7.357 90 90 90 I4/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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C .4464 .2415 .1053 1.23 .00182 .00263 .00440 .00018 .00006 -.00019 |
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Ca .1993 .3011 0 0.97 .00175 .00159 .00395 .00011 0 0 |
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O1 .3564 .2458 .1829 1.46 .00184 .00367 .00477 .00041 .00048 .00020 |
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O2 .2355 .4634 .1799 2.79 .00981 .00187 .00564 -.00035 -.00133 .00067 |
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OW1 .1490 .1145 0 2.75 .00780 .00270 .00843 -.00059 0 0 |
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OW2 .0192 .3841 0 2.97 .00378 .00633 .01221 .00159 0 0 |
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Wat3 0 0 .683 .58 7.20 .01062 .01062 .03972 0 0 0 |
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Wat30 0 0 .240 .17 7.00 |
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H1 .166 .071 .105 5 |
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H2 .350 .018 .115 5 |
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M |
|
American Mineralogist 80 (1995) 923-929 |
|
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and |
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estimation of C2/c pyroxene contributions to apparent Pbca diffraction |
|
violations |
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Sample: OPX SDM N.13, natural |
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_database_code_amcsd 0001755 |
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18.316 8.907 5.218 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sia .27149 .34060 .05180 .00044 .00135 .00294 -.00013 -.00001 -.00008 |
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Sib .47403 .33660 .79535 .00047 .00154 .00219 .00014 .00009 .00001 |
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Mg1 .37540 .65459 .87426 .896 .00056 .00177 .00263 .00000 -.00015 .00015 |
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Fe1 .37540 .65459 .87426 .104 .00056 .00177 .00263 .00000 -.00015 .00015 |
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Fe2 .37797 .48308 .36794 .703 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
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Mg2 .37797 .48308 .36794 .254 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
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Ca2 .37797 .48308 .36794 .043 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
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O1a .18355 .33731 .04361 .00046 .00239 .00322 -.00010 .00033 .00016 |
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O1b .56266 .33632 .79552 .00042 .00255 .00364 .00011 -.00036 .00031 |
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O2a .31117 .50053 .05332 .00069 .00192 .00466 -.00020 -.00058 .00004 |
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O2b .43402 .48555 .69789 .00070 .00249 .00455 .00032 -.00019 .00076 |
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O3a .30233 .23184 -.17642 .00060 .00273 .00635 .00001 .00036 -.00239 |
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O3b .44739 .20280 .59356 .00062 .00280 .00649 -.00003 -.00014 -.00234 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M |
|
American Mineralogist 80 (1995) 923-929 |
|
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and |
|
estimation of C2/c pyroxene contributions to apparent Pbca diffraction |
|
violations |
|
Sample: OPX SDM N.7, heated |
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_database_code_amcsd 0001756 |
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18.320 8.917 5.219 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sia .27178 .34044 .05067 .00035 .00100 .00544 -.00020 -.00014 .00006 |
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Sib .47383 .33640 .79521 .00044 .00132 .00450 .00021 .00028 .00020 |
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Fe1 .37558 .65406 .87255 .232 .00044 .00145 .00435 -.00003 .00008 .00008 |
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Mg1 .37558 .65406 .87255 .768 .00044 .00145 .00435 -.00003 .00008 .00008 |
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Fe2 .37776 .48319 .36681 .570 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
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Mg2 .37776 .48319 .36681 .387 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
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Ca2 .37776 .48319 .36681 .043 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
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O1a .18414 .33775 .03730 .00031 .00196 .00475 -.00008 -.00009 .00090 |
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O1b .56235 .33755 .79219 .00021 .00280 .00449 .00011 -.00009 .00101 |
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O2a .31098 .49976 .04844 .00038 .00262 .00658 -.00036 -.00045 .00053 |
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O2b .43401 .48420 .69768 .00054 .00341 .00609 .00020 -.00002 .00020 |
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O3a .30222 .23043 -.17242 .00060 .00300 .00629 -.00038 .00063 -.00173 |
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O3b .44755 .20209 .59672 .00067 .00262 .00584 .00005 -.00002 -.00273 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Domeneghetti M C, Tazzoli V, Ballaran T B, Molin G M |
|
American Mineralogist 81 (1996) 842-846 |
|
Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure |
|
for a Pbca phase coexisting with a C2/c exsolved phase |
|
Sample Opx SDM N.13, natural |
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_database_code_amcsd 0001805 |
|
18.316 8.907 5.218 90 90 90 Pbca |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiA .22851 .65945 .5520 .993 .0066 .0063 .0034 -.0006 -.0004 .0003 |
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AlA .22851 .65945 .5520 .014 .0066 .0063 .0034 -.0006 -.0004 .0003 |
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SiB .47401 .33650 .7950 .993 .0064 .0058 .0031 .0002 -.0004 -.0001 |
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AlB .47401 .33650 .7950 .014 .0064 .0058 .0031 .0002 -.0004 -.0001 |
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O1A .3161 .8380 .0440 .0077 .0086 .0043 -.0002 .0003 .0001 |
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O1B .5625 .3370 .7957 .0057 .0088 .0045 -.0001 -.0018 .0011 |
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O2A .3111 .5003 .0539 .0098 .0081 .0067 -.0016 -.0028 .0004 |
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O2B .4341 .4852 .6976 .0112 .0087 .0071 .0017 .0004 .0017 |
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O3A .1976 .7686 .3243 .0096 .0124 .0061 .0016 -.0003 .0035 |
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O3B .4473 .2022 .5935 .0105 .0113 .0067 -.0006 -.0006 -.0030 |
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Mg1 .37537 .65467 .8743 .897 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Fe1 .37537 .65467 .8743 .091 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Mn1 .37537 .65467 .8743 .003 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Cr1 .37537 .65467 .8743 .004 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Ti1 .37537 .65467 .8743 .005 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Mg2 .37799 .48326 .36791 .237 .0103 .0096 .0042 -.0012 -.0022 .0000 |
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Fe2 .37799 .48326 .36791 .704 .0103 .0096 .0042 -.0012 -.0022 .0000 |
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Mn2 .37799 .48326 .36791 .023 .0103 .0096 .0042 -.0012 -.0022 .0000 |
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Ca2 .37799 .48326 .36791 .036 .0103 .0096 .0042 -.0012 -.0022 .0000 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Domeneghetti M C, Tazzoli V, Ballaran T B, Molin G M |
|
American Mineralogist 81 (1996) 842-846 |
|
Orthopyroxene from the Serra de Mage meteorite: A structure-refinement |
|
procedure for a Pbca phase coexisting with a C2/c exsolved phase |
|
Sample Opx SDM N.7, heated |
|
_database_code_amcsd 0001806 |
|
18.320 8.917 5.219 90 90 90 Pbca |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiA .22838 .65955 .5514 .993 .0051 .0056 .0041 -.0007 -.0008 .0001 |
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AlA .22838 .65955 .5514 .014 .0051 .0056 .0041 -.0007 -.0008 .0001 |
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SiB .47386 .33637 .7946 .993 .0050 .0049 .0043 .0006 -.0001 .0004 |
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AlB .47386 .33637 .7946 .014 .0050 .0049 .0043 .0006 -.0001 .0004 |
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O1A .31602 .8387 .0412 .0064 .0078 .0063 .0001 .0001 -.0001 |
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O1B .56216 .3379 .7951 .0047 .0087 .0068 -.0001 -.0007 .0003 |
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O2A .31132 .4996 .0517 .0092 .0076 .0074 -.0017 -.0012 .0020 |
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O2B .43368 .4840 .6951 .0084 .0090 .0077 .0011 -.0007 .0014 |
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O3A .19772 .7698 .3246 .0077 .0114 .0074 -.0004 -.0012 .0035 |
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O3B .44762 .2012 .5940 .0084 .0102 .0075 -.0009 -.0010 -.0030 |
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Mg1 .37563 .65440 .8726 .764 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Fe1 .37563 .65440 .8726 .220 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Mn1 .37563 .65440 .8726 .007 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Cr1 .37563 .65440 .8726 .004 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Ti1 .37563 .65440 .8726 .005 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Mg2 .37780 .48378 .36644 .364 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
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Fe2 .37780 .48378 .36644 .581 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
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Mn2 .37780 .48378 .36644 .019 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
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Ca2 .37780 .48378 .36644 .036 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 1997-1 SE-India |
|
_database_code_amcsd 0002605 |
|
17.0568 9.7154 9.3472 90 90 90 Cccm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM .33743 0 .25 .992 .00625 .00522 .00607 .00745 0 0 -.00008 |
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FeM .33743 0 .25 .008 .00625 .00522 .00607 .00745 0 0 -.00008 |
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AlT11 .25 .25 .25015 .991 .00553 .00656 .00502 .00499 .00136 0 0 |
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FeT11 .25 .25 .25015 .009 .00553 .00656 .00502 .00499 .00136 0 0 |
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SiT16 0 .5 .25 .00448 .00371 .00561 .00412 0 0 0 |
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SiT21 .19266 .07779 0 .00405 .00428 .00351 .00436 .00028 0 0 |
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SiT23 .13516 -.23754 0 .00414 .00377 .00421 .00444 -.00059 0 0 |
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AlT26 .05091 .30795 0 .00440 .00358 .00488 .00472 .00051 0 0 |
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O11 .24743 -.10271 .35880 .00722 .00886 .00655 .00625 -.00073 .00279 -.00107 |
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O16 .06242 -.41629 .34900 .00711 .00573 .00903 .00657 -.00088 .00020 -.00312 |
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O13 -.17328 -.31056 .35852 .00731 .00789 .00773 .00630 .00127 -.00202 -.00221 |
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O26 .04309 -.24797 0 .01146 .00437 .01486 .01515 -.00198 0 0 |
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O21 .12243 .18464 0 .01089 .00839 .00916 .01514 .00508 0 0 |
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O23 .16455 -.07972 0 .01064 .01244 .00471 .01477 -.00266 0 0 |
|
WatCh1 0 0 .25 .54 .193 .362 .134 .084 0 0 0 |
|
NaCh2 0 0 0 .044 .029 .017 .025 .046 .003 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 126231 Tanzania |
|
_database_code_amcsd 0002606 |
|
17.0645 9.7281 9.3515 90 90 90 Cccm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM .33736 0 .25 .917 .00639 .00543 .00592 .00782 0 0 -.00016 |
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FeM .33736 0 .25 .083 .00639 .00543 .00592 .00782 0 0 -.00016 |
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AlT11 .25 .25 .25020 .985 .00585 .00694 .00534 .00529 .00145 0 0 |
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FeT11 .25 .25 .25020 .015 .00585 .00694 .00534 .00529 .00145 0 0 |
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SiT16 0 .5 .25 .992 .00492 .00428 .00596 .00450 0 0 0 |
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FeT16 0 .5 .25 .008 .00492 .00428 .00596 .00450 0 0 0 |
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SiT21 .19258 .07786 0 .00421 .00451 .00355 .00457 .00025 0 0 |
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SiT23 .13513 -.23727 0 .00435 .00395 .00443 .00467 -.00055 0 0 |
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AlT26 .05091 .30800 0 .00453 .00388 .00489 .00481 .00046 0 0 |
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O11 .24727 -.10284 .35879 .00783 .00980 .00692 .00676 -.00046 .00322 -.00096 |
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O16 .06223 -.41618 .34898 .00748 .00634 .00913 .00696 -.00072 .00027 -.00314 |
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O13 -.17310 -.31010 .35851 .00800 .00805 .00859 .00735 .00131 -.00190 -.00240 |
|
O26 .04303 -.24727 0 .01158 .00442 .01468 .01565 -.00236 0 0 |
|
O21 .12227 .18445 0 .01156 .00934 .00969 .01564 .00528 0 0 |
|
O23 .16444 -.07961 0 .01104 .01240 .00450 .01620 -.00292 0 0 |
|
WatCh1 0 0 .25 .38 .161 |
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NaCh2 0 0 0 .084 .038 .038 .022 .053 0 0 0 |
|
CCh1c 0 0 .25 .192 .031 |
|
OCh1x .05953 0 .25 .192 .082 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: Zimbabwe |
|
_database_code_amcsd 0002607 |
|
17.0807 9.7307 9.3427 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33745 0 .25 .876 .00657 .00575 .00559 .00837 0 0 -.00009 |
|
FeM .33745 0 .25 .124 .00657 .00575 .00559 .00837 0 0 -.00009 |
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AlT11 .25 .25 .25012 .982 .00600 .00738 .00503 .00560 .00127 0 0 |
|
FeT11 .25 .25 .25012 .018 .00600 .00738 .00503 .00560 .00127 0 0 |
|
SiT16 0 .5 .25 .00470 .00434 .00526 .00448 0 0 0 |
|
SiT21 .19236 .07792 0 .00428 .00476 .00317 .00492 .00015 0 0 |
|
SiT23 .13511 -.23720 0 .00436 .00416 .00385 .00506 -.00064 0 0 |
|
AlT26 .05075 .30775 0 .00453 .00416 .00446 .00496 .00045 0 0 |
|
O11 .24702 -.10287 .35867 .00782 .01023 .00631 .00693 -.00084 .00305 -.00113 |
|
O16 .06219 -.41604 .34894 .00748 .00687 .00863 .00695 -.00100 .00019 -.00318 |
|
O13 -.17324 -.30991 .35840 .00773 .00830 .00791 .00700 .00123 -.00196 -.00236 |
|
O26 .04317 -.24805 0 .01142 .00459 .01426 .01542 -.00204 0 0 |
|
O21 .12222 .18444 0 .01126 .00924 .00928 .01526 .00504 0 0 |
|
O23 .16426 -.07955 0 .01093 .01268 .00471 .01542 -.00320 0 0 |
|
WatCh1 0 0 .25 .39 .161 .298 .133 .052 0 0 0 |
|
NaCh2 0 0 0 .052 .025 .021 .010 .044 -.003 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 1960728, Orijarvi, Finland |
|
_database_code_amcsd 0002608 |
|
17.0994 9.7358 9.3360 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33750 0 .25 .802 .00647 .00534 .00578 .00830 0 0 -.00006 |
|
FeM .33750 0 .25 .198 .00647 .00534 .00578 .00830 0 0 -.00006 |
|
AlT11 .25 .25 .25009 .986 .00589 .00701 .00551 .00516 .00129 0 0 |
|
FeT11 .25 .25 .25009 .014 .00589 .00701 .00551 .00516 .00129 0 0 |
|
SiT16 0 .5 .25 .00483 .00427 .00568 .00456 0 0 0 |
|
SiT21 .19217 .07803 0 .00431 .00448 .00364 .00481 .00034 0 0 |
|
SiT23 .13511 -.23680 0 .00436 .00385 .00446 .00477 -.00062 0 0 |
|
AlT26 .05062 .30761 0 .00460 .00390 .00473 .00518 .00048 0 0 |
|
O11 .24680 -.10308 .35863 .00768 .00961 .00668 .00675 -.00057 .00306 -.00109 |
|
O16 .06207 -.41588 .34889 .00767 .00641 .00900 .00759 -.00123 .00053 -.00326 |
|
O13 -.17331 -.30949 .35834 .00768 .00797 .00850 .00659 .00141 -.00186 -.00213 |
|
O26 .04329 -.24819 0 .01161 .00400 .01531 .01552 -.00219 0 0 |
|
O21 .12211 .18473 0 .01148 .00873 .00923 .01647 .00520 0 0 |
|
O23 .16429 -.07925 0 .01124 .01282 .00443 .01646 -.00260 0 0 |
|
WatCh1 0 0 .25 .50 .246 .599 .094 .045 0 0 0 |
|
NaCh2 0 0 0 .046 .039 .027 .032 .058 .007 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 85131, Mt Bity, Madagaskar |
|
_database_code_amcsd 0002609 |
|
17.0987 9.7388 9.3347 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33746 0 .25 .807 .00652 .00541 .00571 .00843 0 0 -.00003 |
|
FeM .33746 0 .25 .193 .00652 .00541 .00571 .00843 0 0 -.00003 |
|
AlT11 .25 .25 .25009 .981 .00610 .00722 .00557 .00550 .00132 0 0 |
|
FeT11 .25 .25 .25009 .019 .00610 .00722 .00557 .00550 .00132 0 0 |
|
SiT16 0 .5 .25 .992 .00498 .00449 .00574 .00469 0 0 0 |
|
FeT16 0 .5 .25 .008 .00498 .00449 .00574 .00469 0 0 0 |
|
SiT21 .19213 .07807 0 .00426 .00444 .00343 .00491 .00022 0 0 |
|
SiT23 .13511 -.23686 0 .00433 .00378 .00431 .00491 -.00060 0 0 |
|
AlT26 .05064 .30764 0 .00455 .00384 .00477 .00503 .00057 0 0 |
|
O11 .24677 -.10308 .35865 .00781 .00994 .00659 .00690 -.00061 .00318 -.00100 |
|
O16 .06208 -.41594 .34889 .00768 .00671 .00907 .00725 -.00127 .00034 -.00338 |
|
O13 -.17326 -.30947 .35835 .00776 .00818 .00812 .00699 .00133 -.00207 -.00238 |
|
O26 .04321 -.24788 0 .01167 .00412 .01461 .01629 -.00206 0 0 |
|
O21 .12197 .18448 0 .01145 .00902 .00926 .01608 .00543 0 0 |
|
O23 .16417 -.07919 0 .01105 .01252 .00480 .01581 -.00288 0 0 |
|
WatCh1 0 0 .25 .55 .195 .359 .154 .071 0 0 0 |
|
NaCh2 0 0 0 .056 .037 .051 .016 .044 -.001 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: g13994, Dolny Bory , Czech Republic |
|
_database_code_amcsd 0002610 |
|
17.2232 9.8261 9.2989 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33698 0 .25 .077 .00741 .00592 .00639 .00991 0 0 -.00012 |
|
FeM .33698 0 .25 .888 .00741 .00592 .00639 .00991 0 0 -.00012 |
|
LiM .33698 0 .25 .035 .00741 .00592 .00639 .00991 0 0 -.00012 |
|
AlT11 .25 .25 .25007 .984 .00688 .00783 .00652 .00628 .00109 0 0 |
|
FeT11 .25 .25 .25007 .016 .00688 .00783 .00652 .00628 .00109 0 0 |
|
SiT16 0 .5 .25 .995 .00582 .00516 .00662 .00569 0 0 0 |
|
FeT16 0 .5 .25 .005 .00582 .00516 .00662 .00569 0 0 0 |
|
SiT21 .19001 .07904 0 .00482 .00496 .00369 .00579 .00020 0 0 |
|
SiT23 .13473 -.23442 0 .00499 .00413 .00495 .00588 -.00057 0 0 |
|
AlT26 .04982 .30742 0 .00521 .00422 .00550 .00592 .00074 0 0 |
|
O11 .24419 -.10452 .35794 .00863 .01087 .00734 .00767 -.00070 .00259 -.00097 |
|
O16 .06097 -.41472 .34885 .00876 .00756 .01013 .00860 -.00108 .00066 -.00378 |
|
O13 -.17306 -.30569 .35772 .00890 .00898 .00967 .00805 .00173 -.00210 -.00195 |
|
O26 .04325 -.24690 0 .01325 .00514 .01685 .01778 -.00246 0 0 |
|
O21 .11960 .18377 0 .01295 .01000 .01069 .01817 .00668 0 0 |
|
O23 .16227 -.07697 0 .01283 .01451 .00531 .01868 -.00327 0 0 |
|
WatCh1 0 0 .25 .43 .078 .129 .057 .047 0 0 0 |
|
NaCh2 0 0 0 .162 .026 .027 .011 .040 -.001 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 1997-1 SE-India, T = 900 C, t = 24 h, in air |
|
_database_code_amcsd 0002611 |
|
17.071 9.717 9.3479 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33748 0 .25 .988 .00620 .00553 .00583 .00723 0 0 -.00005 |
|
FeM .33748 0 .25 .012 .00620 .00553 .00583 .00723 0 0 -.00005 |
|
AlT11 .25 .25 .25011 .988 .00525 .00645 .00477 .00454 .00143 0 0 |
|
FeT11 .25 .25 .25011 .012 .00525 .00645 .00477 .00454 .00143 0 0 |
|
SiT16 0 .5 .25 .994 .00438 .00389 .00539 .00386 0 0 0 |
|
FeT16 0 .5 .25 .006 .00438 .00389 .00539 .00386 0 0 0 |
|
SiT21 .19262 .07779 0 .00376 .00420 .00319 .00389 .00015 0 0 |
|
SiT23 .13516 -.23764 0 .00385 .00380 .00386 .00389 -.00056 0 0 |
|
AlT26 .05083 .30787 0 .00403 .00346 .00450 .00412 .00045 0 0 |
|
O11 .24734 -.10261 .35881 .00700 .00862 .00636 .00601 -.00064 .00274 -.00101 |
|
O16 .06241 -.41623 .34899 .00679 .00579 .00850 .00610 -.00076 .00014 -.00307 |
|
O13 -.17334 -.31051 .35846 .00703 .00782 .00728 .00600 .00132 -.00183 -.00222 |
|
O26 .04329 -.24896 0 .01068 .00446 .01368 .01391 -.00173 0 0 |
|
O21 .12251 .18478 0 .01048 .00807 .00902 .01434 .00508 0 0 |
|
O23 .16447 -.07972 0 .01032 .01155 .00438 .01502 -.00290 0 0 |
|
NaCh2 0 0 0 .067 .124 .061 .047 .263 -.007 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample:126231 Tanzania, T = 900 C, t = 24h |
|
_database_code_amcsd 0002612 |
|
17.089 9.729 9.350 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33750 0 .25 .908 .00648 .00540 .00611 .00793 0 0 -.00006 |
|
FeM .33750 0 .25 .092 .00648 .00540 .00611 .00793 0 0 -.00006 |
|
AlT11 .25 .25 .25014 .988 .00580 .00670 .00535 .00535 .00131 0 0 |
|
FeT11 .25 .25 .25014 .012 .00580 .00670 .00535 .00535 .00131 0 0 |
|
SiT16 0 .5 .25 .00468 .00400 .00567 .00437 0 0 0 |
|
SiT21 .19241 .07782 0 .00419 .00441 .00368 .00449 .00023 0 0 |
|
SiT23 .13509 -.23748 0 .00427 .00377 .00443 .00460 -.00061 0 0 |
|
AlT26 .05078 .30787 0 .00452 .00375 .00500 .00479 .00057 0 0 |
|
O11 .24706 -.10275 .35876 .00777 .00958 .00707 .00666 -.00055 .00302 -.00077 |
|
O16 .06229 -.41607 .34893 .00745 .00620 .00912 .00703 -.00095 .00024 -.00316 |
|
O13 -.17325 -.31013 .35842 .00779 .00792 .00847 .00698 .00127 -.00208 -.00236 |
|
O26 .04320 -.24863 0 .01139 .00439 .01494 .01484 -.00221 0 0 |
|
O21 .12219 .18450 0 .01137 .00940 .00971 .01499 .00563 0 0 |
|
O23 .16419 -.07953 0 .01107 .01253 .00486 .01582 -.00307 0 0 |
|
NaCh2 0 0 0 .086 .066 .051 .019 .128 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: Zimbabwe, T = 900 C, t = 24h |
|
_database_code_amcsd 0002613 |
|
17.096 9.729 9.342 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33748 0 .25 .875 .00678 .00577 .00613 .00845 0 0 -.00005 |
|
FeM .33748 0 .25 .125 .00678 .00577 .00613 .00845 0 0 -.00005 |
|
AlT11 .25 .25 .25010 .992 .00599 .00705 .00535 .00557 .00109 0 0 |
|
FeT11 .25 .25 .25010 .008 .00599 .00705 .00535 .00557 .00109 0 0 |
|
SiT16 0 .5 .25 .00505 .00445 .00583 .00485 0 0 0 |
|
SiT21 .19230 .07793 0 .00452 .00485 .00374 .00496 .00013 0 0 |
|
SiT23 .13508 -.23728 0 .00458 .00412 .00452 .00511 -.00066 0 0 |
|
AlT26 .05070 .30776 0 .00480 .00415 .00506 .00520 .00055 0 0 |
|
O11 .24692 -.10287 .35864 .00804 .01004 .00697 .00712 -.00056 .00295 -.00089 |
|
O16 .06223 -.41597 .34892 .00770 .00654 .00914 .00742 -.00100 .00020 -.00321 |
|
O13 -.17333 -.30993 .35840 .00806 .00815 .00864 .00738 .00122 -.00198 -.00233 |
|
O26 .04327 -.24890 0 .01181 .00482 .01511 .01550 -.00210 0 0 |
|
O21 .12214 .18465 0 .01157 .00947 .00961 .01564 .00524 0 0 |
|
O23 .16414 -.07939 0 .01133 .01299 .00505 .01596 -.00297 0 0 |
|
NaCh2 0 0 0 .074 .083 .058 .019 .171 .002 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 85131, Mt. Bity, Madagaskar, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002614 |
|
17.1135 9.7359 9.3330 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33754 0 .25 .810 .00665 .00529 .00583 .00883 0 0 -.00007 |
|
FeM .33754 0 .25 .190 .00665 .00529 .00583 .00883 0 0 -.00007 |
|
AlT11 .25 .25 .25009 .988 .00603 .00679 .00547 .00583 .00110 0 0 |
|
FeT11 .25 .25 .25009 .012 .00603 .00679 .00547 .00583 .00110 0 0 |
|
SiT16 0 .5 .25 .00498 .00446 .00556 .00491 0 0 0 |
|
SiT21 .19202 .07808 0 .00445 .00460 .00341 .00536 .00023 0 0 |
|
SiT23 .13512 -.23696 0 .00453 .00379 .00429 .00550 -.00069 0 0 |
|
AlT26 .05050 .30757 0 .00468 .00388 .00466 .00549 .00055 0 0 |
|
O11 .24663 -.10299 .35858 .00788 .00981 .00661 .00722 -.00081 .00297 -.00070 |
|
O16 .06211 -.41584 .34883 .00781 .00660 .00914 .00769 -.00090 .00007 -.00335 |
|
O13 -.17333 -.30942 .35828 .00805 .00814 .00844 .00757 .00142 -.00212 -.00216 |
|
O26 .04344 -.24918 0 .01148 .00440 .01414 .01591 -.00190 0 0 |
|
O21 .12205 .18480 0 .01152 .00932 .00952 .01572 .00541 0 0 |
|
O23 .16401 -.07922 0 .01139 .01268 .00504 .01644 -.00301 0 0 |
|
NaCh2 0 0 0 .052 .083 .039 .016 .193 .008 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 1960728 Orijarvi, Finland, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002615 |
|
17.119 9.735 9.334 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33754 0 .25 .791 .00663 .00556 .00583 .00851 0 0 -.00010 |
|
FeM .33754 0 .25 .209 .00663 .00556 .00583 .00851 0 0 -.00010 |
|
AlT11 .25 .25 .25007 .987 .00593 .00688 .00542 .00548 .00128 0 0 |
|
FeT11 .25 .25 .25007 .013 .00593 .00688 .00542 .00548 .00128 0 0 |
|
SiT16 0 .5 .25 .991 .00523 .00490 .00585 .00493 0 0 0 |
|
FeT16 0 .5 .25 .009 .00523 .00490 .00585 .00493 0 0 0 |
|
SiT21 .19202 .07809 0 .00431 .00439 .00352 .00503 .00019 0 0 |
|
SiT23 .13506 -.23699 0 .00444 .00396 .00431 .00505 -.00065 0 0 |
|
AlT26 .05054 .30758 0 .00462 .00387 .00491 .00507 .00072 0 0 |
|
O11 .24663 -.10297 .35844 .00778 .00960 .00669 .00705 -.00072 .00285 -.00101 |
|
O16 .06210 -.41591 .34889 .00770 .00663 .00902 .00745 -.00124 .00022 -.00324 |
|
O13 -.17335 -.30947 .35823 .00771 .00786 .00809 .00720 .00128 -.00202 -.00224 |
|
O26 .04345 -.24929 0 .01136 .00438 .01457 .01513 -.00166 0 0 |
|
O21 .12212 .18498 0 .01142 .00891 .00956 .01579 .00495 0 0 |
|
O23 .16405 -.07917 0 .01092 .01250 .00473 .01554 -.00299 0 0 |
|
NaCh2 0 0 0 .038 .182 .077 .027 .444 -.005 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: Great Bear Lake, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002616 |
|
17.132 9.744 9.330 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33757 0 .25 .725 .00649 .00515 .00551 .00881 0 0 -.00006 |
|
FeM .33757 0 .25 .275 .00649 .00515 .00551 .00881 0 0 -.00006 |
|
AlT11 .25 .25 .25004 .988 .00593 .00693 .00521 .00566 .00117 0 0 |
|
FeT11 .25 .25 .25004 .012 .00593 .00693 .00521 .00566 .00117 0 0 |
|
SiT16 0 .5 .25 .993 .00510 .00474 .00554 .00501 0 0 0 |
|
FeT16 0 .5 .25 .007 .00510 .00474 .00554 .00501 0 0 0 |
|
SiT21 .19183 .07819 0 .00423 .00443 .00322 .00504 .00031 0 0 |
|
SiT23 .13504 -.23677 0 .00446 .00403 .00415 .00521 -.00069 0 0 |
|
AlT26 .05045 .30737 0 .00460 .00392 .00449 .00540 .00048 0 0 |
|
O11 .24639 -.10313 .35861 .00783 .00972 .00645 .00731 -.00039 .00326 -.00093 |
|
O16 .06192 -.41565 .34876 .00779 .00646 .00872 .00818 -.00131 .00060 -.00348 |
|
O13 -.17331 -.30913 .35824 .00780 .00758 .00855 .00725 .00154 -.00208 -.00238 |
|
O26 .04336 -.24898 0 .01162 .00402 .01466 .01619 -.00202 0 0 |
|
O21 .12195 .18469 0 .01120 .00861 .00958 .01542 .00524 0 0 |
|
O23 .16388 -.07901 0 .01115 .01249 .00477 .01618 -.00287 0 0 |
|
NaCh2 0 0 0 .021 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 94755, Tincup mining district, Wyoming, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002617 |
|
17.138 9.751 9.328 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33744 0 .25 .771 .00715 .00625 .00679 .00841 0 0 -.00009 |
|
FeM .33744 0 .25 .289 .00715 .00625 .00679 .00841 0 0 -.00009 |
|
AlT11 .25 .25 .25005 .995 .00635 .00786 .00628 .00490 .00114 0 0 |
|
FeT11 .25 .25 .25005 .005 .00635 .00786 .00628 .00490 .00114 0 0 |
|
SiT16 0 .5 .25 .00564 .00577 .00657 .00457 0 0 0 |
|
SiT21 .19161 .07831 0 .00500 .00566 .00460 .00475 .00019 0 0 |
|
SiT23 .13501 -.23658 0 .00502 .00486 .00543 .00478 -.00056 0 0 |
|
AlT26 .05037 .30762 0 .00522 .00482 .00606 .00480 .00071 0 0 |
|
O11 .24616 -.10329 .35854 .00859 .01134 .00811 .00633 -.00059 .00313 -.00083 |
|
O16 .06194 -.41571 .34891 .00862 .00815 .01047 .00725 -.00150 .00079 -.00322 |
|
O13 -.17335 -.30888 .35817 .00872 .00940 .00972 .00702 .00136 -.00228 -.00231 |
|
O26 .04342 -.24893 0 .01254 .00600 .01612 .01551 -.00234 0 0 |
|
O21 .12162 .18469 0 .01254 .01122 .01063 .01578 .00557 0 0 |
|
O23 .16365 -.07891 0 .01218 .01390 .00634 .01630 -.00294 0 0 |
|
NaCh2 0 0 0 .066 .090 .041 .016 .212 .007 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 111249, Cerro del Hoyazo, Spain, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002618 |
|
17.172 9.7660 9.3142 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33741 0 .25 .494 .00707 .00608 .00663 .00851 0 0 .00006 |
|
FeM .33741 0 .25 .506 .00707 .00608 .00663 .00851 0 0 .00006 |
|
AlT11 .25 .25 .25008 .991 .00612 .00773 .00588 .00475 .00122 0 0 |
|
FeT11 .25 .25 .25008 .009 .00612 .00773 .00588 .00475 .00122 0 0 |
|
SiT16 0 .5 .25 .00525 .00537 .00642 .00397 0 0 0 |
|
SiT21 .19126 .07847 0 .00474 .00598 .00378 .00447 .00017 0 0 |
|
SiT23 .13492 -.23598 0 .00466 .00480 .00474 .00445 -.00079 0 0 |
|
AlT26 .05011 .30707 0 .00461 .00390 .00583 .00411 .00069 0 0 |
|
O11 .24562 -.10360 .35846 .00835 .01087 .00784 .00635 -.00043 .00291 -.00139 |
|
O16 .06161 -.41513 .34874 .00846 .00806 .00975 .00757 -.00124 -.00017 -.00298 |
|
O13 -.17332 -.30819 .35802 .00826 .00919 .00940 .00619 .00139 -.00217 -.00218 |
|
O26 .04360 -.24862 0 .01233 .00587 .01590 .01521 -.00263 0 0 |
|
O21 .12127 .18444 0 .01236 .01118 .01014 .01577 .00532 0 0 |
|
O23 .16337 -.07837 0 .01219 .01552 .00576 .01530 -.00341 0 0 |
|
NaCh2 0 0 0 .037 .055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien1 T = 1038 deg C |
|
_database_code_amcsd 0002799 |
|
9.773 8.962 5.271 90 108.99 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1A .86851 .33792 .17346 .02453 .02270 .02279 .02392 .00603 .00185 -.00022 |
|
O1B .37326 .84298 .13288 .02440 .01854 .03292 .02364 .00073 .00944 .00263 |
|
O2A .12306 .49709 .33023 .03242 .03611 .02643 .03503 -.01207 .01199 -.01426 |
|
O2B .62729 .98937 .37205 .04033 .03885 .03969 .04646 -.01300 .01940 -.00072 |
|
O3A .10337 .26371 .58561 .03129 .01962 .03966 .03383 -.00139 .00765 .01987 |
|
O3B .60188 .71307 .48527 .03133 .02920 .03944 .02786 .00495 .01272 .01246 |
|
SiA .04316 .33983 .27886 .01932 .01836 .01747 .02239 -.00196 .00700 .00228 |
|
SiB .54744 .84026 .24409 .02209 .01627 .02454 .02556 -.00322 .00695 -.00196 |
|
Mg1 .24987 .65144 .23118 .02581 .02716 .02629 .02310 -.00454 .00695 .00247 |
|
Mg2 .25375 .01747 .23273 .85 .04168 .03847 .04574 .03479 .00308 .00362 .00580 |
|
Ca2 .25375 .01747 .23273 .15 .04168 .03847 .04574 .03479 .00308 .00362 .00580 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien1 T = 25 deg C |
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_database_code_amcsd 0002800 |
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9.651 8.846 5.202 90 108.34 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86657 .33948 .17890 .00662 .00494 .00690 .00789 .00005 .00181 .00066 |
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O1B .37428 .83968 .12721 .00668 .00494 .00843 .00658 .00005 .00169 .00046 |
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O2A .12121 .50101 .32229 .00800 .00980 .00567 .00908 -.00218 .00377 -.00030 |
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O2B .63154 .98539 .38134 .01184 .01156 .00931 .01722 -.00530 .00822 -.00598 |
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O3A .10505 .27466 .60141 .01017 .00700 .01225 .01143 .00084 .00314 .00524 |
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O3B .60473 .70086 .46442 .01001 .00686 .01411 .00909 .00095 .00255 .00505 |
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SiA .04243 .34128 .28683 .00555 .00529 .00501 .00701 -.00049 .00286 -.00051 |
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SiB .55079 .83814 .23243 .00561 .00533 .00528 .00662 -.00079 .00245 -.00065 |
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Mg1 .25088 .65386 .22278 .00694 .00693 .00705 .00690 -.00003 .00227 .00070 |
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Mg2 .25548 .01774 .22147 .85 .01290 .01046 .01878 .00911 .00380 .00257 .00467 |
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Ca2 .25548 .01774 .22147 .15 .01290 .01046 .01878 .00911 .00380 .00257 .00467 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 25 deg C |
|
_database_code_amcsd 0002801 |
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9.651 8.846 5.202 90 108.38 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86654 .33948 .17873 .00580 .00462 .00691 .00576 -.00039 .00148 .00063 |
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O1B .37433 .83963 .12772 .00613 .00485 .00782 .00577 .00024 .00173 -.00011 |
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O2A .12099 .50111 .32199 .00696 .00807 .00544 .00744 -.00177 .00256 .00011 |
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O2B .63185 .98529 .38213 .01077 .01096 .00879 .01507 -.00394 .00770 -.00468 |
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O3A .10514 .27488 .60177 .00895 .00587 .01133 .00964 .00057 .00245 .00488 |
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O3B .60463 .70100 .46426 .00940 .00656 .01388 .00809 .00099 .00278 .00498 |
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SiA .04237 .34128 .28684 .00476 .00442 .00493 .00526 -.00039 .00200 -.00029 |
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SiB .55077 .83808 .23258 .00481 .00489 .00454 .00537 -.00092 .00216 -.00110 |
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Mg1 .25087 .65381 .22287 .00589 .00619 .00638 .00485 .00042 .00140 .00081 |
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Mg2 .25554 .01760 .22156 .85 .01245 .01036 .01842 .00807 .00389 .00217 .00436 |
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Ca2 .25554 .01760 .22156 .15 .01245 .01036 .01842 .00807 .00389 .00217 .00436 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 500 deg C |
|
_database_code_amcsd 0002802 |
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9.702 8.903 5.228 90 108.58 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86787 .33936 .17583 .01344 .01116 .01636 .01215 .00051 .00277 .00092 |
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O1B .37361 .84055 .12950 .01439 .01158 .01779 .01337 .00056 .00339 -.00113 |
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O2A .12166 .49977 .32593 .01669 .01970 .01221 .01864 -.00565 .00678 -.00106 |
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O2B .63063 .98561 .37802 .02159 .02271 .01862 .02613 -.00892 .01157 -.00709 |
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O3A .10420 .27096 .59479 .01976 .01449 .02546 .01936 -.00050 .00543 .00943 |
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O3B .60331 .70554 .47150 .01895 .01617 .02381 .01785 .00308 .00678 .00876 |
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SiA .04254 .34090 .28445 .01075 .01050 .01105 .01145 -.00124 .00454 -.00106 |
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SiB .54985 .83826 .23615 .01066 .01050 .01029 .01172 -.00119 .00429 -.00072 |
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Mg1 .25060 .65285 .22641 .01490 .01596 .01404 .01463 .00035 .00480 .00053 |
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Mg2 .25495 .01784 .22514 .85 .02354 .02404 .02834 .01646 .00507 .00394 .00404 |
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Ca2 .25495 .01784 .22514 .15 .02354 .02404 .02834 .01646 .00507 .00394 .00404 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 650 deg C |
|
_database_code_amcsd 0002803 |
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9.713 8.913 5.234 90 108.64 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86807 .33954 .17543 .01717 .01259 .02205 .01565 -.00213 .00282 -.00038 |
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O1B .37321 .84096 .13015 .01491 .01344 .01662 .01427 .00024 .00386 -.00023 |
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O2A .12149 .49930 .32662 .02036 .02458 .01618 .02138 -.00751 .00883 -.00333 |
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O2B .63021 .98629 .37674 .02326 .02393 .01912 .02850 -.00742 .01085 -.00684 |
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O3A .10371 .27021 .59168 .02110 .01794 .02438 .02033 -.00114 .00521 .00996 |
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O3B .60314 .70639 .47337 .01973 .01803 .02328 .01792 .00399 .00582 .00860 |
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SiA .04250 .34052 .28366 .01172 .01182 .01240 .01091 -.00126 .00359 -.00098 |
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SiB .54963 .83857 .23700 .01133 .01181 .01040 .01178 -.00170 .00377 -.00118 |
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Mg1 .25025 .65276 .22705 .01589 .01807 .01629 .01330 .00098 .00501 .00100 |
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Mg2 .25478 .01793 .22547 .85 .02602 .02634 .03240 .01676 .00475 .00326 .00277 |
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Ca2 .25478 .01793 .22547 .15 .02602 .02634 .03240 .01676 .00475 .00326 .00277 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 800 deg C |
|
_database_code_amcsd 0002804 |
|
9.739 8.936 5.249 90 108.80 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86828 .33961 .17249 .01942 .01595 .02406 .01797 .00094 .00505 .00149 |
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O1B .37346 .84123 .13248 .01912 .01476 .02284 .01853 .00146 .00368 -.00057 |
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O2A .12164 .49858 .32875 .02349 .02631 .01887 .02612 -.00863 .00961 -.00341 |
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O2B .62975 .98637 .37552 .02678 .03137 .02224 .02992 -.00943 .01431 -.00841 |
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O3A .10313 .26764 .58800 .02651 .02048 .03486 .02415 -.00056 .00716 .01199 |
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O3B .60222 .70925 .47905 .02480 .02226 .03067 .02337 .00350 .00998 .01248 |
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SiA .04294 .34079 .28246 .01375 .01284 .01520 .01384 -.00107 .00518 -.00056 |
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SiB .54865 .83882 .23917 .01385 .01469 .01415 .01394 -.00138 .00632 -.00078 |
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Mg1 .25051 .65217 .22924 .02020 .02213 .02058 .01778 .00014 .00625 .00025 |
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Mg2 .25431 .01745 .22774 .85 .03230 .03421 .03803 .02157 .00622 .00470 .00261 |
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Ca2 .25431 .01745 .22774 .15 .03230 .03421 .03803 .02157 .00622 .00470 .00261 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 1000 deg C |
|
_database_code_amcsd 0002805 |
|
9.752 8.949 5.255 90 108.84 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86862 .33890 .17197 .02075 .01655 .02735 .01874 .00345 .00625 .00100 |
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O1B .37311 .84175 .13310 .02136 .01986 .02434 .02009 .00202 .00674 .00018 |
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O2A .12226 .49844 .33087 .02613 .02956 .01942 .03102 -.00833 .01199 -.00410 |
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O2B .62858 .98692 .37344 .03082 .03185 .02848 .03628 -.01373 .01675 -.00999 |
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O3A .10324 .26674 .58704 .02842 .02092 .03935 .02482 .00030 .00715 .01704 |
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O3B .60230 .71138 .48337 .02867 .02675 .03591 .02514 .00777 .01085 .01352 |
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SiA .04317 .34038 .28182 .01524 .01501 .01670 .01515 -.00186 .00645 -.00167 |
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SiB .54817 .83878 .24048 .01576 .01547 .01633 .01619 -.00176 .00609 -.00152 |
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Mg1 .25048 .65186 .23090 .02196 .02398 .02230 .01975 -.00015 .00728 .00060 |
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Mg2 .25426 .01793 .22864 .85 .03481 .03785 .04023 .02357 .00768 .00606 .00239 |
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Ca2 .25426 .01793 .22864 .15 .03481 .03785 .04023 .02357 .00768 .00606 .00239 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
|
in the C2/c - P2_1/c phase transition in pigeonite |
|
Sample: BTS-308 n.17-1, before heat treatment |
|
_database_code_amcsd 0003147 |
|
9.716 8.946 5.252 90 108.49 90 P2_1/c |
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atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1A -.1326 .3381 .1688 .008 .005 .008 .010 .000 .002 .000 |
|
O1b .3736 .8364 .1344 .008 .006 .008 .010 .001 .002 .000 |
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O2A .1218 .4994 .3324 .010 .011 .007 .013 -.002 .005 -.001 |
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O2B .6288 .9879 .3726 .014 .014 .010 .020 -.007 .009 -.007 |
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O3A .1043 .2391 .0765 .018 .007 .024 .022 -.001 .004 0 |
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O3B .6050 .7097 .4808 .013 .007 .019 .013 .001 .003 .008 |
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SiA .0426 .3405 .2761 .006 .005 .005 .010 -.001 .003 -.001 |
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SiB .5494 .8374 .2386 .006 .005 .005 .007 -.001 .003 -.001 |
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MgM1 .2504 .6547 .2319 .006 .7595 .006 .006 .007 .000 .002 .000 |
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FeM1 .2504 .6547 .2319 .006 .2155 .006 .006 .007 .000 .002 .000 |
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MnM1 .2504 .6547 .2319 .006 .0070 .006 .006 .007 .000 .002 .000 |
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CaM2 .2552 .0190 .2294 .011 .1950 .008 .015 .007 .001 .000 .002 |
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MgM2 .2552 .0190 .2294 .011 .1624 .008 .015 .007 .001 .000 .002 |
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FeM2 .2552 .0190 .2294 .011 .6222 .008 .015 .007 .001 .000 .002 |
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MnM2 .2552 .0190 .2294 .011 .0204 .008 .015 .007 .001 .000 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
|
in the C2/c - P2_1/c phase transition in pigeonite |
|
Sample: BTS-308 n.17-2, after heating at 700 deg C |
|
_database_code_amcsd 0003148 |
|
9.708 8.941 5.244 90 108.52 90 P2_1/c |
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atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1A -.1327 .3384 .1699 .008 .005 .009 .009 .000 .002 .000 |
|
O1b .3737 .8368 .1339 .008 .006 .010 .009 .000 .002 .000 |
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O2A .1217 .4995 .3318 .010 .011 .007 .012 -.003 .005 -.001 |
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O2B .6293 .9875 .3740 .014 .014 .010 .020 -.006 .010 -.007 |
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O3A .1043 .2375 .0795 .016 .008 .021 .019 -.001 .004 0 |
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O3B .6051 .7086 .4795 .013 .007 .019 .012 .001 .003 .008 |
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SiA .0426 .3404 .2775 .006 .005 .006 .009 -.001 .003 -.001 |
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SiB .5496 .8374 .2380 .006 .005 .006 .007 -.001 .002 -.001 |
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MgM1 .2504 .6546 .2311 .006 .7283 .006 .006 .007 .000 .002 .000 |
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FeM1 .2504 .6546 .2311 .006 .2458 .006 .006 .007 .000 .002 .000 |
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MnM1 .2504 .6546 .2311 .006 .0079 .006 .006 .007 .000 .002 .000 |
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CaM2 .2553 .0188 .2286 .011 .1953 .008 .015 .007 .001 .000 .002 |
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MgM2 .2553 .0188 .2286 .011 .1974 .008 .015 .007 .001 .000 .002 |
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FeM2 .2553 .0188 .2286 .011 .5879 .008 .015 .007 .001 .000 .002 |
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MnM2 .2553 .0188 .2286 .011 .0194 .008 .015 .007 .001 .000 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
|
in the C2/c - P2_1/c phase transition in pigeonite |
|
Sample: BTS-308 n.17-3, after heating at 750 deg C |
|
_database_code_amcsd 0003149 |
|
9.707 8.941 5.247 90 108.48 90 P2_1/c |
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atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1A -.1326 .3385 .1699 .008 .006 .010 .009 .000 .002 .000 |
|
O1b .3738 .8369 .1343 .009 .006 .010 .010 .000 .002 .000 |
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O2A .1217 .4996 .3316 .011 .012 .007 .013 -.003 .005 -.001 |
|
O2B .6293 .9874 .3737 .014 .014 .011 .020 -.006 .010 -.007 |
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O3A .1045 .2372 .0799 .017 .009 .022 .018 -.001 .004 0 |
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O3B .6050 .7086 .4791 .014 .008 .020 .013 .001 .003 .008 |
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SiA .0427 .3404 .2776 .007 .006 .006 .010 -.001 .003 -.001 |
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SiB .5496 .8374 .2382 .007 .006 .006 .008 -.001 .003 -.001 |
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MgM1 .2504 .6546 .2310 .007 .7159 .007 .006 .008 .009 .000 .002 |
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FeM1 .2504 .6546 .2310 .007 .2544 .007 .006 .008 .009 .000 .002 |
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MnM1 .2504 .6546 .2310 .007 .0082 .007 .006 .008 .009 .000 .002 |
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CaM2 .2554 .0188 .2286 .011 .1953 .009 .016 .008 .002 .001 .002 |
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MgM2 .2554 .0188 .2286 .011 .2049 .009 .016 .008 .002 .001 .002 |
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FeM2 .2554 .0188 .2286 .011 .5807 .009 .016 .008 .002 .001 .002 |
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MnM2 .2554 .0188 .2286 .011 .0191 .009 .016 .008 .002 .001 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
|
in the C2/c - P2_1/c phase transition in pigeonite |
|
Sample: BTS-308 n.17-4, after heating at 800 deg C |
|
_database_code_amcsd 0003150 |
|
9.707 8.943 5.246 90 108.47 90 P2_1/c |
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atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1A -.1326 .3386 .1705 .008 .005 .009 .008 .000 .002 .000 |
|
O1b .3738 .8369 .1341 .008 .006 .009 .009 .001 .002 .000 |
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O2A .1217 .4995 .3315 .010 .012 .007 .012 -.003 .005 -.001 |
|
O2B .6294 .9874 .3741 .013 .014 .011 .019 -.006 .010 -.007 |
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O3A .1041 .2370 .0802 .016 .008 .021 .018 -.001 .004 0 |
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O3B .6049 .7084 .4791 .013 .007 .019 .012 .001 .003 .007 |
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SiA .0426 .3404 .2780 .006 .005 .006 .008 -.001 .003 -.001 |
|
SiB .5497 .8373 .2380 .006 .006 .006 .007 -.001 .002 -.001 |
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MgM1 .2505 .6546 .2307 .006 .7108 .007 .006 .006 .000 .002 .000 |
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FeM1 .2505 .6546 .2307 .006 .2626 .007 .006 .006 .000 .002 .000 |
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MnM1 .2505 .6546 .2307 .006 .0085 .007 .006 .006 .000 .002 .000 |
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CaM2 .2554 .0187 .2283 .011 .1935 .009 .015 .007 .002 .001 .002 |
|
MgM2 .2554 .0187 .2283 .011 .2188 .009 .015 .007 .002 .001 .002 |
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FeM2 .2554 .0187 .2283 .011 .5668 .009 .015 .007 .002 .001 .002 |
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MnM2 .2554 .0187 .2283 .011 .0189 .009 .015 .007 .002 .001 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
|
in the C2/c - P2_1/c phase transition in pigeonite |
|
Sample: BTS-308 n.17-5, after heating at 850 deg C |
|
_database_code_amcsd 0003151 |
|
9.711 8.944 5.249 90 108.49 90 P2_1/c |
|
atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1A -.1324 .3385 .1710 .008 .007 .009 .009 .001 .002 .000 |
|
O1b .3738 .8371 .1334 .008 .007 .009 .009 .000 .002 -.001 |
|
O2A .1216 .4995 .3307 .010 .013 .007 .012 -.003 .007 -.001 |
|
O2B .6287 .9875 .3729 .014 .013 .011 .021 -.004 .010 -.006 |
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O3A .1041 .2369 .0802 .014 .007 .018 .016 -.002 .003 -.009 |
|
O3B .6047 .7089 .4800 .012 .009 .016 .012 .001 .003 .006 |
|
SiA .0426 .3404 .2783 .006 .005 .006 .008 -.001 .003 -.001 |
|
SiB .5497 .8372 .2379 .006 .006 .006 .007 -.001 .003 -.001 |
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MgM1 .2504 .6545 .2304 .007 .6900 .007 .006 .006 .000 .002 .000 |
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FeM1 .2504 .6545 .2304 .007 .2784 .007 .006 .006 .000 .002 .000 |
|
MnM1 .2504 .6545 .2304 .007 .0087 .007 .006 .006 .000 .002 .000 |
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CaM2 .2554 .0191 .2282 .011 .1787 .010 .016 .007 .002 .001 .003 |
|
MgM2 .2554 .0191 .2282 .011 .2310 .010 .016 .007 .002 .001 .003 |
|
FeM2 .2554 .0191 .2282 .011 .5720 .010 .016 .007 .002 .001 .003 |
|
MnM2 .2554 .0191 .2282 .011 .0183 .010 .016 .007 .002 .001 .003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
|
in the C2/c - P2_1/c phase transition in pigeonite |
|
Sample: BTS-308 n.17-6, after the final in situ run to 500 deg C |
|
_database_code_amcsd 0003152 |
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9.718 8.951 5.250 90 108.50 90 P2_1/c |
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atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A -.1326 .3384 .1704 .007 .006 .009 .007 -.001 .002 .000 |
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O1b .3734 .8374 .1339 .007 .006 .007 .007 .002 .002 .001 |
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O2A .1220 .4997 .3315 .009 .013 .006 .011 -.005 .006 .001 |
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O2B .6281 .9868 .3717 .014 .013 .010 .020 -.006 .008 -.004 |
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O3A .1041 .2370 .0798 .012 .006 .014 .014 .000 .001 -.008 |
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O3B .6043 .7098 .4800 .011 .006 .017 .010 .001 .002 .005 |
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SiA .0424 .3407 .2780 .006 .004 .005 .008 -.001 .002 -.002 |
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SiB .5498 .8370 .2377 .005 .005 .004 .007 .000 .002 .000 |
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MgM1 .2505 .6546 .2303 .006 .7010 .006 .005 .006 -.001 .001 -.001 |
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FeM1 .2505 .6546 .2303 .006 .2736 .006 .005 .006 -.001 .001 -.001 |
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MnM1 .2505 .6546 .2303 .006 .0086 .006 .005 .006 -.001 .001 -.001 |
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CaM2 .2554 .0194 .2281 .011 .1803 .009 .015 .007 .002 -.001 .002 |
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MgM2 .2554 .0194 .2281 .011 .2406 .009 .015 .007 .002 -.001 .002 |
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FeM2 .2554 .0194 .2281 .011 .5607 .009 .015 .007 .002 -.001 .002 |
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MnM2 .2554 .0194 .2281 .011 .0184 .009 .015 .007 .002 -.001 .002 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
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Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
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Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
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Locality: Parana, Brazil |
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Sample: N.35, untreated |
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_database_code_amcsd 0003962 |
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9.7071 8.9435 5.2481 90 108.483 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255192 .017045 .228309 .1437 .010112 .011311 .007101 .000456 .000647 .001611 |
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FeM2A .255192 .017045 .228309 .6362 .010112 .011311 .007101 .000456 .000647 .001611 |
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CaM2A .255192 .017045 .228309 .0784 .010112 .011311 .007101 .000456 .000647 .001611 |
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MnM2A .255192 .017045 .228309 .0259 .010112 .011311 .007101 .000456 .000647 .001611 |
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NaM2A .255192 .017045 .228309 .0030 .010112 .011311 .007101 .000456 .000647 .001611 |
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CaM2B .254036 .049506 .249442 .1128 .011423 |
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MgM1 .250490 .654727 .232121 .7764 .008018 .006763 .007727 .000121 .002449 .000458 |
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Fe2+M1 .250490 .654727 .232121 .1960 .008018 .006763 .007727 .000121 .002449 .000458 |
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Fe3+M1 .250490 .654727 .232121 .0147 .008018 .006763 .007727 .000121 .002449 .000458 |
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TiM1 .250490 .654727 .232121 .0101 .008018 .006763 .007727 .000121 .002449 .000458 |
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MnM1 .250490 .654727 .232121 .0027 .008018 .006763 .007727 .000121 .002449 .000458 |
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SiA .042638 .340507 .275819 .006146 .006198 .009999 -.000581 .003367 -.000616 |
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SiB .549269 .837496 .238663 .9840 .006599 .006249 .007780 -.001068 .002828 -.000944 |
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AlB .549269 .837496 .238663 .0160 .006599 .006249 .007780 -.001068 .002828 -.000944 |
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O1A .867633 .338142 .168299 .006561 .009023 .009713 .000532 .002613 .000062 |
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O2A .121624 .499486 .332181 .012521 .008224 .013628 -.003275 .005907 -.001811 |
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O3A .104270 .261080 .576279 .009289 .023267 .021057 .000787 .004399 .014429 |
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O1B .373603 .836609 .134765 .007080 .009612 .009962 .000376 .002903 -.000022 |
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O2B .628732 .987868 .372233 .014739 .011594 .021224 -.006085 .010302 -.007512 |
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O3B .604937 .709499 .481649 .008494 .021313 .012807 .000717 .003991 .007685 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
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Locality: Parana, Brazil |
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Sample: N.35, annealed at T = 700 C for t = 10 min |
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_database_code_amcsd 0003963 |
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9.7093 8.9417 5.2479 90 108.507 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255175 .016824 .228003 .1519 .009804 .010982 .006652 .000330 .000634 .001771 |
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FeM2A .255175 .016824 .228003 .6279 .009804 .010982 .006652 .000330 .000634 .001771 |
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CaM2A .255175 .016824 .228003 .0685 .009804 .010982 .006652 .000330 .000634 .001771 |
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MnM2A .255175 .016824 .228003 .0256 .009804 .010982 .006652 .000330 .000634 .001771 |
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NaM2A .255175 .016824 .228003 .0031 .009804 .010982 .006652 .000330 .000634 .001771 |
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CaM2B .254366 .048966 .251399 .1230 .011947 |
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MgM1 .250449 .654666 .232018 .7705 .007892 .006868 .007510 .000123 .002515 .000322 |
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Fe2+M1 .250449 .654666 .232018 .2019 .007892 .006868 .007510 .000123 .002515 .000322 |
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Fe3+M1 .250449 .654666 .232018 .0146 .007892 .006868 .007510 .000123 .002515 .000322 |
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TiM1 .250449 .654666 .232018 .0102 .007892 .006868 .007510 .000123 .002515 .000322 |
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MnM1 .250449 .654666 .232018 .0028 .007892 .006868 .007510 .000123 .002515 .000322 |
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SiA .042724 .340569 .276099 .005954 .006368 .010041 -.000484 .003389 -.000737 |
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SiB .549302 .837437 .238780 .9840 .006294 .006299 .007849 -.001011 .002728 -.000871 |
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AlB .549302 .837437 .238780 .0160 .006294 .006299 .007849 -.001011 .002728 -.000871 |
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O1A .867648 .338212 .168308 .006543 .009127 .009852 .000145 .002670 -.000147 |
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O2A .121580 .499459 .332112 .012883 .008605 .013443 -.003279 .006090 -.001640 |
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O3A .104147 .260814 .575613 .008351 .023596 .021535 .000707 .004262 .015074 |
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O1B .373643 .836670 .134859 .007149 .009144 .010226 .000213 .003312 -.000106 |
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O2B .628662 .987816 .372068 .014679 .011356 .021234 -.005953 .010112 -.007620 |
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O3B .604880 .709521 .481878 .007746 .019677 .013302 .000738 .003369 .007742 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 20 min |
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_database_code_amcsd 0003964 |
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9.7057 8.9396 5.2453 90 108.478 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255195 .016378 .227770 .1539 .009633 .010408 .006359 .000099 .000355 .001719 |
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FeM2A .255195 .016378 .227770 .6259 .009633 .010408 .006359 .000099 .000355 .001719 |
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CaM2A .255195 .016378 .227770 .0417 .009633 .010408 .006359 .000099 .000355 .001719 |
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MnM2A .255195 .016378 .227770 .0259 .009633 .010408 .006359 .000099 .000355 .001719 |
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NaM2A .255195 .016378 .227770 .0030 .009633 .010408 .006359 .000099 .000355 .001719 |
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CaM2B .254515 .046766 .248789 .1496 .012800 |
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MgM1 .250434 .654621 .232036 .7650 .007862 .007063 .007474 .000191 .002392 .000402 |
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Fe2+M1 .250434 .654621 .232036 .2072 .007862 .007063 .007474 .000191 .002392 .000402 |
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Fe3+M1 .250434 .654621 .232036 .0148 .007862 .007063 .007474 .000191 .002392 .000402 |
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TiM1 .250434 .654621 .232036 .0101 .007862 .007063 .007474 .000191 .002392 .000402 |
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MnM1 .250434 .654621 .232036 .0030 .007862 .007063 .007474 .000191 .002392 .000402 |
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SiA .042741 .340553 .275997 .005922 .006463 .010119 -.000549 .003336 -.000667 |
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SiB .549321 .837429 .238665 .9840 .006232 .006442 .007641 -.001078 .002677 -.000971 |
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AlB .549321 .837429 .238665 .0160 .006232 .006442 .007641 -.001078 .002677 -.000971 |
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O1A .867567 .338158 .168337 .006511 .009185 .009683 .000298 .002699 .000057 |
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O2A .121531 .499429 .332093 .012442 .008799 .013176 -.003649 .006069 -.001310 |
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O3A .104077 .261054 .576241 .008430 .023232 .020936 .000398 .004143 .013858 |
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O1B .373598 .836571 .134869 .006819 .009626 .009984 .000187 .003004 -.000047 |
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O2B .628675 .987776 .371983 .014459 .011626 .021699 -.006207 .010426 -.007520 |
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O3B .604868 .709349 .481560 .007418 .019820 .013563 .000328 .003382 .007992 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 30 min |
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_database_code_amcsd 0003965 |
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9.7118 8.9442 5.2484 90 108.496 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255178 .016731 .227992 .1551 .009961 .010658 .006542 .000424 .000539 .001749 |
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FeM2A .255178 .016731 .227992 .6248 .009961 .010658 .006542 .000424 .000539 .001749 |
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CaM2A .255178 .016731 .227992 .0647 .009961 .010658 .006542 .000424 .000539 .001749 |
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MnM2A .255178 .016731 .227992 .0261 .009961 .010658 .006542 .000424 .000539 .001749 |
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NaM2A .255178 .016731 .227992 .0029 .009961 .010658 .006542 .000424 .000539 .001749 |
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CaM2B .254518 .048988 .249693 .1265 .011822 |
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MgM1 .250455 .654629 .231946 .7613 .007900 .006743 .007402 .000044 .002435 .000374 |
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Fe2+M1 .250455 .654629 .231946 .2107 .007900 .006743 .007402 .000044 .002435 .000374 |
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Fe3+M1 .250455 .654629 .231946 .0149 .007900 .006743 .007402 .000044 .002435 .000374 |
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TiM1 .250455 .654629 .231946 .0100 .007900 .006743 .007402 .000044 .002435 .000374 |
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MnM1 .250455 .654629 .231946 .0030 .007900 .006743 .007402 .000044 .002435 .000374 |
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SiA .042790 .340603 .276138 .005990 .006121 .010041 -.000501 .003395 -.000624 |
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SiB .549378 .837484 .238604 .9840 .006307 .006105 .007522 -.001082 .002733 -.000976 |
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AlB .549378 .837484 .238604 .0160 .006307 .006105 .007522 -.001082 .002733 -.000976 |
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O1A .867607 .338152 .168397 .006136 .009434 .009516 .000266 .002695 -.000189 |
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O2A .121617 .499487 .331951 .012329 .008561 .013115 -.003371 .006020 -.001490 |
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O3A .104127 .261162 .575990 .008378 .021988 .020827 -.000004 .003555 .013592 |
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O1B .373598 .836558 .134631 .006870 .009857 .009276 .000853 .003161 -.000025 |
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O2B .628802 .987730 .372164 .013914 .012181 .020690 -.005909 .009799 -.007734 |
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O3B .604690 .709516 .481112 .007572 .019643 .013321 .000531 .003398 .008103 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 50 min |
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_database_code_amcsd 0003966 |
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9.7114 8.9473 5.2513 90 108.475 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255237 .016458 .227752 .1628 .009832 .010263 .006467 .000228 .000669 .001978 |
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FeM2A .255237 .016458 .227752 .6172 .009832 .010263 .006467 .000228 .000669 .001978 |
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CaM2A .255237 .016458 .227752 .0504 .009832 .010263 .006467 .000228 .000669 .001978 |
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MnM2A .255237 .016458 .227752 .0256 .009832 .010263 .006467 .000228 .000669 .001978 |
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NaM2A .255237 .016458 .227752 .0030 .009832 .010263 .006467 .000228 .000669 .001978 |
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CaM2B .253810 .047303 .248865 .1409 .011389 |
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MgM1 .250406 .654637 .231905 .7565 .007893 .006832 .007470 .000218 .002548 .000478 |
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Fe2+M1 .250406 .654637 .231905 .2155 .007893 .006832 .007470 .000218 .002548 .000478 |
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Fe3+M1 .250406 .654637 .231905 .0148 .007893 .006832 .007470 .000218 .002548 .000478 |
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TiM1 .250406 .654637 .231905 .0101 .007893 .006832 .007470 .000218 .002548 .000478 |
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MnM1 .250406 .654637 .231905 .0031 .007893 .006832 .007470 .000218 .002548 .000478 |
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SiA .042738 .340550 .276215 .005950 .006317 .009821 -.000614 .003354 -.000574 |
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SiB .549291 .837473 .238617 .9840 .006355 .006151 .007352 -.000987 .002710 -.000938 |
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AlB .549291 .837473 .238617 .0160 .006355 .006151 .007352 -.000987 .002710 -.000938 |
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O1A .867653 .338136 .168662 .006510 .009159 .009649 .000262 .002632 -.000044 |
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O2A .121559 .499573 .332035 .013078 .007921 .014102 -.003259 .006603 -.001456 |
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O3A .104157 .261208 .576601 .007971 .023237 .020596 .000275 .003929 .014404 |
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O1B .373534 .836612 .134596 .007187 .009343 .009992 .000460 .002896 .000019 |
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O2B .628802 .987827 .372569 .014486 .011598 .020944 -.005803 .010136 -.007057 |
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O3B .604852 .709118 .481534 .007324 .020455 .012805 .000268 .003094 .007788 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 90 min |
|
_database_code_amcsd 0003967 |
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9.7087 8.9405 5.2468 90 108.496 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255218 .016478 .227696 .1723 .009708 .010333 .006363 .000283 .000529 .001827 |
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FeM2A .255218 .016478 .227696 .6079 .009708 .010333 .006363 .000283 .000529 .001827 |
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CaM2A .255218 .016478 .227696 .0520 .009708 .010333 .006363 .000283 .000529 .001827 |
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MnM2A .255218 .016478 .227696 .0255 .009708 .010333 .006363 .000283 .000529 .001827 |
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NaM2A .255218 .016478 .227696 .0030 .009708 .010333 .006363 .000283 .000529 .001827 |
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CaM2B .254562 .047268 .248565 .1393 .011757 |
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MgM1 .250428 .654596 .231772 .7477 .007858 .006802 .007508 .000155 .002528 .000453 |
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Fe2+M1 .250428 .654596 .231772 .2243 .007858 .006802 .007508 .000155 .002528 .000453 |
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Fe3+M1 .250428 .654596 .231772 .0147 .007858 .006802 .007508 .000155 .002528 .000453 |
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TiM1 .250428 .654596 .231772 .0101 .007858 .006802 .007508 .000155 .002528 .000453 |
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MnM1 .250428 .654596 .231772 .0032 .007858 .006802 .007508 .000155 .002528 .000453 |
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SiA .042762 .340538 .276342 .005816 .006265 .009845 -.000562 .003324 -.000636 |
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SiB .549342 .837438 .238697 .9840 .006371 .006137 .007362 -.001128 .002787 -.001044 |
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AlB .549342 .837438 .238697 .0160 .006371 .006137 .007362 -.001128 .002787 -.001044 |
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O1A .867667 .338264 .168694 .006401 .009375 .009084 .000371 .002511 -.000162 |
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O2A .121428 .499568 .331890 .012573 .008123 .013352 -.003330 .005940 -.001799 |
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O3A .104213 .261526 .576927 .008314 .022677 .020132 .000318 .003881 .013539 |
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O1B .373637 .836677 .134863 .006829 .009743 .009696 .000180 .003122 -.000181 |
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O2B .628726 .987748 .372520 .014526 .011821 .021272 -.006052 .010539 -.007734 |
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O3B .604810 .709253 .481418 .007234 .020666 .012855 .000537 .003072 .007765 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 180 min |
|
_database_code_amcsd 0003968 |
|
9.7104 8.9417 5.2476 90 108.479 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255249 .016692 .227866 .1747 .009799 .011062 .006727 .000315 .000542 .001828 |
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FeM2A .255249 .016692 .227866 .6061 .009799 .011062 .006727 .000315 .000542 .001828 |
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CaM2A .255249 .016692 .227866 .0649 .009799 .011062 .006727 .000315 .000542 .001828 |
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MnM2A .255249 .016692 .227866 .0255 .009799 .011062 .006727 .000315 .000542 .001828 |
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NaM2A .255249 .016692 .227866 .0030 .009799 .011062 .006727 .000315 .000542 .001828 |
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CaM2B .254329 .048960 .250055 .1258 .011687 |
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MgM1 .250422 .654596 .231771 .7422 .007884 .007029 .007589 .000109 .002520 .000387 |
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Fe2+M1 .250422 .654596 .231771 .2294 .007884 .007029 .007589 .000109 .002520 .000387 |
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Fe3+M1 .250422 .654596 .231771 .0151 .007884 .007029 .007589 .000109 .002520 .000387 |
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TiM1 .250422 .654596 .231771 .0100 .007884 .007029 .007589 .000109 .002520 .000387 |
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MnM1 .250422 .654596 .231771 .0033 .007884 .007029 .007589 .000109 .002520 .000387 |
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SiA .042746 .340562 .276437 .005960 .006456 .009956 -.000531 .003367 -.000616 |
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SiB .549357 .837462 .238645 .9840 .006297 .006404 .007609 -.001043 .002785 -.000919 |
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AlB .549357 .837462 .238645 .0160 .006297 .006404 .007609 -.001043 .002785 -.000919 |
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O1A .867667 .338266 .168693 .006293 .009690 .009530 .000169 .002598 -.000121 |
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O2A .121643 .499462 .332212 .012349 .008383 .013377 -.003436 .005939 -.001524 |
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O3A .104209 .261339 .576959 .008991 .022984 .020842 .000175 .004324 .014267 |
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O1B .373565 .836737 .134946 .006686 .010016 .009752 .000308 .002934 -.000155 |
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O2B .628868 .987549 .372735 .014488 .012129 .020540 -.006129 .009888 -.007374 |
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O3B .604797 .709114 .480957 .007608 .020099 .013260 .000545 .003315 .007769 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 300 min |
|
_database_code_amcsd 0003969 |
|
9.7120 8.9434 5.2492 90 108.479 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255246 .016737 .227822 .1764 .009655 .010884 .006616 .000504 .000551 .001822 |
|
FeM2A .255246 .016737 .227822 .6041 .009655 .010884 .006616 .000504 .000551 .001822 |
|
CaM2A .255246 .016737 .227822 .0648 .009655 .010884 .006616 .000504 .000551 .001822 |
|
MnM2A .255246 .016737 .227822 .0255 .009655 .010884 .006616 .000504 .000551 .001822 |
|
NaM2A .255246 .016737 .227822 .0030 .009655 .010884 .006616 .000504 .000551 .001822 |
|
CaM2B .254252 .048788 .249332 .1261 .012530 |
|
MgM1 .250400 .654595 .231763 .7409 .007802 .006714 .007586 .000116 .002519 .000437 |
|
Fe2+M1 .250400 .654595 .231763 .2307 .007802 .006714 .007586 .000116 .002519 .000437 |
|
Fe3+M1 .250400 .654595 .231763 .0150 .007802 .006714 .007586 .000116 .002519 .000437 |
|
TiM1 .250400 .654595 .231763 .0100 .007802 .006714 .007586 .000116 .002519 .000437 |
|
MnM1 .250400 .654595 .231763 .0034 .007802 .006714 .007586 .000116 .002519 .000437 |
|
SiA .042799 .340555 .276478 .005848 .006358 .009848 -.000585 .003459 -.000675 |
|
SiB .549339 .837435 .238611 .9840 .006265 .006257 .007571 -.001127 .002834 -.001079 |
|
AlB .549339 .837435 .238611 .0160 .006265 .006257 .007571 -.001127 .002834 -.001079 |
|
O1A .867640 .338338 .168987 .006492 .009428 .009489 .000501 .002779 .000099 |
|
O2A .121609 .499437 .332027 .012699 .008401 .013336 -.003375 .006551 -.001534 |
|
O3A .104203 .261567 .577308 .008604 .022278 .020530 .000670 .003972 .013345 |
|
O1B .373585 .836742 .135055 .006845 .009799 .009685 .000519 .003137 -.000020 |
|
O2B .628848 .987704 .372461 .014272 .011683 .021332 -.005924 .010477 -.007316 |
|
O3B .604845 .709141 .481014 .007354 .020400 .013417 .000560 .003278 .007870 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 600 min |
|
_database_code_amcsd 0003970 |
|
9.7132 8.9469 5.2500 90 108.484 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255246 .016629 .227672 .1750 .009791 .010907 .006719 .000379 .000628 .001970 |
|
FeM2A .255246 .016629 .227672 .6051 .009791 .010907 .006719 .000379 .000628 .001970 |
|
CaM2A .255246 .016629 .227672 .0599 .009791 .010907 .006719 .000379 .000628 .001970 |
|
MnM2A .255246 .016629 .227672 .0255 .009791 .010907 .006719 .000379 .000628 .001970 |
|
NaM2A .255246 .016629 .227672 .0030 .009791 .010907 .006719 .000379 .000628 .001970 |
|
CaM2B .254291 .048103 .250414 .1314 .012696 |
|
MgM1 .250428 .654582 .231734 .7435 .007591 .006704 .007556 .000036 .002498 .000301 |
|
Fe2+M1 .250428 .654582 .231734 .2283 .007591 .006704 .007556 .000036 .002498 .000301 |
|
Fe3+M1 .250428 .654582 .231734 .0148 .007591 .006704 .007556 .000036 .002498 .000301 |
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TiM1 .250428 .654582 .231734 .0101 .007591 .006704 .007556 .000036 .002498 .000301 |
|
MnM1 .250428 .654582 .231734 .0033 .007591 .006704 .007556 .000036 .002498 .000301 |
|
SiA .042757 .340551 .276543 .005864 .006267 .010062 -.000568 .003261 -.000721 |
|
SiB .549410 .837400 .238606 .9840 .006155 .006282 .007724 -.001111 .002557 -.000977 |
|
AlB .549410 .837400 .238606 .0160 .006155 .006282 .007724 -.001111 .002557 -.000977 |
|
O1A .867749 .338298 .168910 .006141 .009499 .009864 .000130 .002477 -.000191 |
|
O2A .121573 .499395 .331973 .012475 .008450 .013546 -.003280 .006044 -.001391 |
|
O3A .104248 .261293 .576855 .007737 .022722 .021223 .000510 .004022 .013731 |
|
O1B .373811 .836743 .134997 .006923 .009367 .010093 .000346 .002885 .000057 |
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O2B .628683 .987534 .372746 .014223 .011263 .021445 -.005741 .009830 -.007605 |
|
O3B .604712 .709018 .481196 .007526 .019375 .013240 .000665 .003244 .007552 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 1000 min |
|
_database_code_amcsd 0003971 |
|
9.7096 8.9421 5.2464 90 108.476 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255246 .016535 .227706 .1769 .009881 .010860 .006728 .000389 .000657 .001834 |
|
FeM2A .255246 .016535 .227706 .6035 .009881 .010860 .006728 .000389 .000657 .001834 |
|
CaM2A .255246 .016535 .227706 .0616 .009881 .010860 .006728 .000389 .000657 .001834 |
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MnM2A .255246 .016535 .227706 .0256 .009881 .010860 .006728 .000389 .000657 .001834 |
|
NaM2A .255246 .016535 .227706 .0030 .009881 .010860 .006728 .000389 .000657 .001834 |
|
CaM2B .254276 .048296 .248469 .1294 .011217 |
|
MgM1 .250406 .654596 .231746 .7402 .007746 .006860 .007583 .000090 .002480 .000311 |
|
Fe2+M1 .250406 .654596 .231746 .2314 .007746 .006860 .007583 .000090 .002480 .000311 |
|
Fe3+M1 .250406 .654596 .231746 .0150 .007746 .006860 .007583 .000090 .002480 .000311 |
|
TiM1 .250406 .654596 .231746 .0100 .007746 .006860 .007583 .000090 .002480 .000311 |
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MnM1 .250406 .654596 .231746 .0034 .007746 .006860 .007583 .000090 .002480 .000311 |
|
SiA .042802 .340553 .276509 .005734 .006484 .009946 -.000551 .003330 -.000624 |
|
SiB .549416 .837410 .238584 .9840 .006182 .006322 .007584 -.001129 .002679 -.000970 |
|
AlB .549416 .837410 .238584 .0160 .006182 .006322 .007584 -.001129 .002679 -.000970 |
|
O1A .867648 .338300 .168847 .006029 .009377 .009442 .000334 .002463 .000063 |
|
O2A .121596 .499616 .332059 .012632 .008385 .013071 -.003162 .006160 -.001322 |
|
O3A .104169 .261434 .576720 .008638 .023313 .020832 .000541 .004206 .014241 |
|
O1B .373639 .836709 .134962 .006738 .009749 .009928 .000549 .003030 -.000112 |
|
O2B .628751 .987649 .372776 .014377 .011532 .021460 -.006043 .010293 -.007732 |
|
O3B .604701 .709058 .481019 .007732 .019716 .013241 .000584 .003665 .007698 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 1.5 min |
|
_database_code_amcsd 0003972 |
|
9.7069 8.9427 5.2470 90 108.458 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255357 .016119 .227250 .1816 .009651 .009621 .005785 .000100 .000487 .002122 |
|
FeM2A .255357 .016119 .227250 .5984 .009651 .009621 .005785 .000100 .000487 .002122 |
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CaM2A .255357 .016119 .227250 .0212 .009651 .009621 .005785 .000100 .000487 .002122 |
|
MnM2A .255357 .016119 .227250 .0254 .009651 .009621 .005785 .000100 .000487 .002122 |
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NaM2A .255357 .016119 .227250 .0030 .009651 .009621 .005785 .000100 .000487 .002122 |
|
CaM2B .253789 .045020 .247902 .1703 .013910 |
|
MgM1 .250411 .654514 .231656 .7374 .008006 .006593 .007304 .000143 .002573 .000412 |
|
Fe2+M1 .250411 .654514 .231656 .2344 .008006 .006593 .007304 .000143 .002573 .000412 |
|
Fe3+M1 .250411 .654514 .231656 .0146 .008006 .006593 .007304 .000143 .002573 .000412 |
|
TiM1 .250411 .654514 .231656 .0101 .008006 .006593 .007304 .000143 .002573 .000412 |
|
MnM1 .250411 .654514 .231656 .0034 .008006 .006593 .007304 .000143 .002573 .000412 |
|
SiA .042720 .340577 .276584 .005822 .006021 .009676 -.000530 .003251 -.000553 |
|
SiB .549353 .837462 .238594 .9840 .006230 .006036 .007511 -.001044 .002723 -.000962 |
|
AlB .549353 .837462 .238594 .0160 .006230 .006036 .007511 -.001044 .002723 -.000962 |
|
O1A .867621 .338277 .168936 .006500 .009321 .009317 .000444 .002711 -.000098 |
|
O2A .121657 .499355 .331851 .012517 .008507 .012971 -.003232 .006001 -.001615 |
|
O3A .104283 .261634 .577003 .009026 .021681 .020183 .000826 .004325 .013801 |
|
O1B .373618 .836831 .134932 .007035 .010037 .009367 .000562 .003075 -.000015 |
|
O2B .628960 .987386 .372728 .014403 .012008 .020921 -.005888 .010055 -.007763 |
|
O3B .604900 .709593 .481671 .008141 .019371 .012865 .000731 .003453 .007678 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 3.5 min |
|
_database_code_amcsd 0003973 |
|
9.7088 8.9429 5.2473 90 108.471 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255280 .017044 .227912 .1833 .009987 .011863 .006816 .000528 .000698 .001816 |
|
FeM2A .255280 .017044 .227912 .5972 .009987 .011863 .006816 .000528 .000698 .001816 |
|
CaM2A .255280 .017044 .227912 .0863 .009987 .011863 .006816 .000528 .000698 .001816 |
|
MnM2A .255280 .017044 .227912 .0255 .009987 .011863 .006816 .000528 .000698 .001816 |
|
NaM2A .255280 .017044 .227912 .0029 .009987 .011863 .006816 .000528 .000698 .001816 |
|
CaM2B .254272 .050619 .252196 .1047 .011567 |
|
MgM1 .250410 .654589 .231630 .7330 .007829 .007050 .007552 .000137 .002525 .000420 |
|
Fe2+M1 .250410 .654589 .231630 .2385 .007829 .007050 .007552 .000137 .002525 .000420 |
|
Fe3+M1 .250410 .654589 .231630 .0150 .007829 .007050 .007552 .000137 .002525 .000420 |
|
TiM1 .250410 .654589 .231630 .0100 .007829 .007050 .007552 .000137 .002525 .000420 |
|
MnM1 .250410 .654589 .231630 .0035 .007829 .007050 .007552 .000137 .002525 .000420 |
|
SiA .042771 .340530 .276582 .005983 .006446 .009869 -.000556 .003440 -.000599 |
|
SiB .549408 .837444 .238616 .9840 .006267 .006385 .007583 -.001024 .002807 -.000935 |
|
AlB .549408 .837444 .238616 .0160 .006267 .006385 .007583 -.001024 .002807 -.000935 |
|
O1A .867629 .338328 .169180 .006583 .009559 .009629 .000355 .002822 -.000282 |
|
O2A .121642 .499443 .331902 .012494 .008765 .013243 -.003542 .006115 -.001064 |
|
O3A .104192 .261785 .577541 .008298 .022988 .021030 .000732 .004276 .014241 |
|
O1B .373700 .836787 .135255 .006841 .009781 .010019 .000436 .003251 -.000149 |
|
O2B .628891 .987560 .372624 .014588 .012100 .020939 -.006153 .010110 -.007526 |
|
O3B .604855 .709016 .480985 .007579 .020621 .012796 .000658 .003367 .008005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 6 min |
|
_database_code_amcsd 0003974 |
|
9.7094 8.9457 5.2478 90 108.468 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255312 .016641 .227667 .1854 .009904 .011010 .006618 .000329 .000592 .001985 |
|
FeM2A .255312 .016641 .227667 .5952 .009904 .011010 .006618 .000329 .000592 .001985 |
|
CaM2A .255312 .016641 .227667 .0630 .009904 .011010 .006618 .000329 .000592 .001985 |
|
MnM2A .255312 .016641 .227667 .0256 .009904 .011010 .006618 .000329 .000592 .001985 |
|
NaM2A .255312 .016641 .227667 .0029 .009904 .011010 .006618 .000329 .000592 .001985 |
|
CaM2B .253923 .048016 .249295 .1279 .011915 |
|
MgM1 .250425 .654603 .231579 .7296 .007825 .006789 .007520 .000168 .002565 .000405 |
|
Fe2+M1 .250425 .654603 .231579 .2418 .007825 .006789 .007520 .000168 .002565 .000405 |
|
Fe3+M1 .250425 .654603 .231579 .0150 .007825 .006789 .007520 .000168 .002565 .000405 |
|
TiM1 .250425 .654603 .231579 .0100 .007825 .006789 .007520 .000168 .002565 .000405 |
|
MnM1 .250425 .654603 .231579 .0036 .007825 .006789 .007520 .000168 .002565 .000405 |
|
SiA .042758 .340573 .276767 .005906 .006228 .010062 -.000616 .003522 -.000601 |
|
SiB .549370 .837427 .238628 .9840 .006201 .006264 .007536 -.000958 .002797 -.000938 |
|
AlB .549370 .837427 .238628 .0160 .006201 .006264 .007536 -.000958 .002797 -.000938 |
|
O1A .867617 .338425 .169183 .006569 .009391 .009453 .000264 .002723 -.000229 |
|
O2A .121639 .499361 .331979 .012925 .008422 .013534 -.003299 .006200 -.001284 |
|
O3A .104130 .261683 .577197 .008475 .022989 .020463 .000556 .004295 .014033 |
|
O1B .373589 .836780 .134829 .006558 .010320 .009512 .000345 .002769 -.000050 |
|
O2B .628991 .987392 .372964 .014473 .011796 .021076 -.006279 .009897 -.007631 |
|
O3B .604643 .709219 .480969 .007712 .020131 .012885 .000563 .003560 .007748 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 10 min |
|
_database_code_amcsd 0003975 |
|
9.7113 8.9455 5.2504 90 108.478 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255273 .016803 .227659 .1940 .009749 .011409 .006594 .000368 .000639 .001878 |
|
FeM2A .255273 .016803 .227659 .5868 .009749 .011409 .006594 .000368 .000639 .001878 |
|
CaM2A .255273 .016803 .227659 .0691 .009749 .011409 .006594 .000368 .000639 .001878 |
|
MnM2A .255273 .016803 .227659 .0252 .009749 .011409 .006594 .000368 .000639 .001878 |
|
NaM2A .255273 .016803 .227659 .0030 .009749 .011409 .006594 .000368 .000639 .001878 |
|
CaM2B .254427 .049023 .251648 .1218 .013163 |
|
MgM1 .250421 .654547 .231553 .7236 .007633 .007059 .007765 .000153 .002499 .000409 |
|
Fe2+M1 .250421 .654547 .231553 .2478 .007633 .007059 .007765 .000153 .002499 .000409 |
|
Fe3+M1 .250421 .654547 .231553 .0149 .007633 .007059 .007765 .000153 .002499 .000409 |
|
TiM1 .250421 .654547 .231553 .0100 .007633 .007059 .007765 .000153 .002499 .000409 |
|
MnM1 .250421 .654547 .231553 .0037 .007633 .007059 .007765 .000153 .002499 .000409 |
|
SiA .042728 .340529 .276842 .005722 .006601 .010163 -.000514 .003451 -.000669 |
|
SiB .549408 .837441 .238590 .9840 .006185 .006540 .007807 -.001055 .002770 -.000937 |
|
AlB .549408 .837441 .238590 .0160 .006185 .006540 .007807 -.001055 .002770 -.000937 |
|
O1A .867691 .338397 .168973 .006260 .010069 .009779 .000096 .002806 -.000037 |
|
O2A .121696 .499345 .331982 .012183 .008837 .013414 -.003333 .005964 -.001160 |
|
O3A .104148 .261970 .577441 .008445 .021896 .020595 .000713 .004436 .013716 |
|
O1B .373681 .836801 .134681 .006936 .010533 .009855 .000665 .003311 .000131 |
|
O2B .629029 .987404 .373158 .014233 .012389 .021237 -.006056 .010025 -.007529 |
|
O3B .604749 .709205 .481128 .007195 .020652 .013052 .000171 .003281 .007756 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 18 min |
|
_database_code_amcsd 0003976 |
|
9.7134 8.9482 5.2485 90 108.463 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255318 .016718 .227655 .1967 .010215 .011390 .007019 .000503 .000847 .001955 |
|
FeM2A .255318 .016718 .227655 .5843 .010215 .011390 .007019 .000503 .000847 .001955 |
|
CaM2A .255318 .016718 .227655 .0687 .010215 .011390 .007019 .000503 .000847 .001955 |
|
MnM2A .255318 .016718 .227655 .0253 .010215 .011390 .007019 .000503 .000847 .001955 |
|
NaM2A .255318 .016718 .227655 .0029 .010215 .011390 .007019 .000503 .000847 .001955 |
|
CaM2B .254205 .048504 .249535 .1221 .012509 |
|
MgM1 .250432 .654512 .231510 .7194 .008103 .007041 .007952 .000132 .002797 .000337 |
|
Fe2+M1 .250432 .654512 .231510 .2518 .008103 .007041 .007952 .000132 .002797 .000337 |
|
Fe3+M1 .250432 .654512 .231510 .0149 .008103 .007041 .007952 .000132 .002797 .000337 |
|
TiM1 .250432 .654512 .231510 .0100 .008103 .007041 .007952 .000132 .002797 .000337 |
|
MnM1 .250432 .654512 .231510 .0038 .008103 .007041 .007952 .000132 .002797 .000337 |
|
SiA .042812 .340504 .276914 .006148 .006390 .010133 -.000593 .003617 -.000705 |
|
SiB .549439 .837435 .238634 .9840 .006511 .006434 .007668 -.001058 .002949 -.000937 |
|
AlB .549439 .837435 .238634 .0160 .006511 .006434 .007668 -.001058 .002949 -.000937 |
|
O1A .867736 .338408 .169294 .006634 .009789 .009514 .000122 .002695 -.000193 |
|
O2A .121657 .499294 .331931 .012565 .008626 .013337 -.003507 .005779 -.001453 |
|
O3A .104055 .262089 .577934 .008809 .022918 .021238 .000864 .004840 .013806 |
|
O1B .373798 .836847 .135065 .007306 .010080 .009768 .000424 .003204 .000065 |
|
O2B .628907 .987307 .373193 .015064 .012254 .021388 -.006425 .010378 -.007748 |
|
O3B .604801 .708909 .480541 .008113 .021057 .012654 .000679 .003626 .007938 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 800 C for t = 60 min |
|
_database_code_amcsd 0003977 |
|
9.7075 8.9444 5.2461 90 108.485 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255404 .016822 .227525 .1994 .010191 .011673 .007229 .000561 .000695 .001940 |
|
FeM2A .255404 .016822 .227525 .5817 .010191 .011673 .007229 .000561 .000695 .001940 |
|
CaM2A .255404 .016822 .227525 .0870 .010191 .011673 .007229 .000561 .000695 .001940 |
|
MnM2A .255404 .016822 .227525 .0249 .010191 .011673 .007229 .000561 .000695 .001940 |
|
NaM2A .255404 .016822 .227525 .0030 .010191 .011673 .007229 .000561 .000695 .001940 |
|
CaM2B .254217 .049436 .249829 .1039 .010248 |
|
MgM1 .250461 .654532 .231116 .7206 .007711 .007171 .007672 .000138 .002449 .000416 |
|
Fe2+M1 .250461 .654532 .231116 .2508 .007711 .007171 .007672 .000138 .002449 .000416 |
|
Fe3+M1 .250461 .654532 .231116 .0148 .007711 .007171 .007672 .000138 .002449 .000416 |
|
TiM1 .250461 .654532 .231116 .0101 .007711 .007171 .007672 .000138 .002449 .000416 |
|
MnM1 .250461 .654532 .231116 .0037 .007711 .007171 .007672 .000138 .002449 .000416 |
|
SiA .042818 .340477 .277474 .006000 .006455 .009961 -.000582 .003340 -.000670 |
|
SiB .549609 .837378 .238426 .9840 .006197 .006376 .007886 -.001021 .002750 -.000978 |
|
AlB .549609 .837378 .238426 .0160 .006197 .006376 .007886 -.001021 .002750 -.000978 |
|
O1A .867503 .338360 .169860 .006708 .009564 .009657 .000132 .002669 -.000012 |
|
O2A .121842 .499339 .331473 .012862 .008471 .012819 -.003394 .006258 -.001528 |
|
O3A .103949 .262512 .579004 .008784 .022109 .019553 .000791 .003945 .012611 |
|
O1B .373643 .836806 .134674 .006869 .010265 .010029 .000351 .003221 -.000087 |
|
O2B .629215 .987161 .373353 .014737 .011807 .021016 -.006304 .010286 -.007607 |
|
O3B .604789 .708736 .480196 .008019 .019792 .013110 .000232 .002839 .007491 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, untreated |
|
_database_code_amcsd 0003978 |
|
9.7060 8.9400 5.2460 90 108.504 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255365 .016605 .227587 .1420 .009927 .010615 .006656 .000291 .000759 .001979 |
|
FeM2A .255365 .016605 .227587 .6379 .009927 .010615 .006656 .000291 .000759 .001979 |
|
CaM2A .255365 .016605 .227587 .0542 .009927 .010615 .006656 .000291 .000759 .001979 |
|
MnM2A .255365 .016605 .227587 .0260 .009927 .010615 .006656 .000291 .000759 .001979 |
|
NaM2A .255365 .016605 .227587 .0030 .009927 .010615 .006656 .000291 .000759 .001979 |
|
CaM2B .253447 .046314 .249257 .1369 .013235 |
|
MgM1 .250414 .654659 .231720 .7772 .008103 .006947 .007671 .000188 .002591 .000414 |
|
Fe2+M1 .250414 .654659 .231720 .1952 .008103 .006947 .007671 .000188 .002591 .000414 |
|
Fe3+M1 .250414 .654659 .231720 .0148 .008103 .006947 .007671 .000188 .002591 .000414 |
|
TiM1 .250414 .654659 .231720 .0101 .008103 .006947 .007671 .000188 .002591 .000414 |
|
MnM1 .250414 .654659 .231720 .0027 .008103 .006947 .007671 .000188 .002591 .000414 |
|
SiA .042736 .340543 .276460 .006109 .006416 .009758 -.000504 .003425 -.000622 |
|
SiB .549431 .837380 .238556 .9840 .006400 .006352 .007687 -.001007 .002819 -.000864 |
|
AlB .549431 .837380 .238556 .0160 .006400 .006352 .007687 -.001007 .002819 -.000864 |
|
O1A .867507 .338111 .168478 .006619 .009221 .009472 .000054 .002614 -.000108 |
|
O2A .121595 .499631 .331923 .012645 .008615 .013097 -.003420 .006371 -.001585 |
|
O3A .104176 .261212 .577016 .008638 .021678 .020693 .000553 .004276 .013372 |
|
O1B .373604 .836508 .134486 .007077 .009518 .009848 .000319 .002960 -.000066 |
|
O2B .628803 .987734 .372269 .014541 .011853 .020018 -.005924 .010184 -.007125 |
|
O3B .604947 .709248 .481184 .007931 .019193 .013421 .000503 .003081 .007875 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 80 min |
|
_database_code_amcsd 0003979 |
|
9.7096 8.9413 5.2473 90 108.515 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255193 .016975 .228494 .1463 .009691 .010873 .007715 .000238 .000459 .001766 |
|
FeM2A .255193 .016975 .228494 .6341 .009691 .010873 .007715 .000238 .000459 .001766 |
|
CaM2A .255193 .016975 .228494 .0678 .009691 .010873 .007715 .000238 .000459 .001766 |
|
MnM2A .255193 .016975 .228494 .0262 .009691 .010873 .007715 .000238 .000459 .001766 |
|
NaM2A .255193 .016975 .228494 .0029 .009691 .010873 .007715 .000238 .000459 .001766 |
|
CaM2B .253245 .048697 .251796 .1227 .014538 |
|
MgM1 .250465 .654681 .232393 .7688 .007855 .006868 .008766 .000158 .002628 .000406 |
|
Fe2+M1 .250465 .654681 .232393 .2033 .007855 .006868 .008766 .000158 .002628 .000406 |
|
Fe3+M1 .250465 .654681 .232393 .0150 .007855 .006868 .008766 .000158 .002628 .000406 |
|
TiM1 .250465 .654681 .232393 .0100 .007855 .006868 .008766 .000158 .002628 .000406 |
|
MnM1 .250465 .654681 .232393 .0029 .007855 .006868 .008766 .000158 .002628 .000406 |
|
SiA .042761 .340479 .275771 .006089 .005952 .010868 -.000540 .003430 -.000516 |
|
SiB .549368 .837519 .239149 .9840 .006394 .006074 .008631 -.000990 .002783 -.000936 |
|
AlB .549368 .837519 .239149 .0160 .006394 .006074 .008631 -.000990 .002783 -.000936 |
|
O1A .867619 .338101 .167933 .006764 .008768 .010073 .000290 .002410 -.000013 |
|
O2A .121747 .499321 .332704 .012277 .007897 .014848 -.002828 .006316 -.001874 |
|
O3A .104237 .261289 .576788 .009362 .023568 .021167 .000692 .004426 .014420 |
|
O1B .373586 .836583 .135285 .006691 .009531 .010922 .000396 .003193 .000256 |
|
O2B .628873 .987860 .372183 .014925 .011537 .021583 -.005813 .010988 -.007733 |
|
O3B .604905 .709339 .480990 .008298 .020959 .014406 .000981 .003967 .008500 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 120 min |
|
_database_code_amcsd 0003980 |
|
9.7084 8.9414 5.2476 90 108.505 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255253 .016692 .228060 .1484 .009742 .010386 .007324 .000120 .000639 .001842 |
|
FeM2A .255253 .016692 .228060 .6316 .009742 .010386 .007324 .000120 .000639 .001842 |
|
CaM2A .255253 .016692 .228060 .0475 .009742 .010386 .007324 .000120 .000639 .001842 |
|
MnM2A .255253 .016692 .228060 .0261 .009742 .010386 .007324 .000120 .000639 .001842 |
|
NaM2A .255253 .016692 .228060 .0029 .009742 .010386 .007324 .000120 .000639 .001842 |
|
CaM2B .253402 .046406 .250863 .1434 .015519 |
|
MgM1 .250474 .654678 .232178 .7679 .008028 .006644 .008651 .000138 .002775 .000406 |
|
Fe2+M1 .250474 .654678 .232178 .2043 .008028 .006644 .008651 .000138 .002775 .000406 |
|
Fe3+M1 .250474 .654678 .232178 .0149 .008028 .006644 .008651 .000138 .002775 .000406 |
|
TiM1 .250474 .654678 .232178 .0100 .008028 .006644 .008651 .000138 .002775 .000406 |
|
MnM1 .250474 .654678 .232178 .0029 .008028 .006644 .008651 .000138 .002775 .000406 |
|
SiA .042739 .340483 .275944 .006271 .005976 .010506 -.000467 .003419 -.000606 |
|
SiB .549405 .837506 .239038 .9840 .006532 .005922 .008511 -.001018 .002879 -.000960 |
|
AlB .549405 .837506 .239038 .0160 .006532 .005922 .008511 -.001018 .002879 -.000960 |
|
O1A .867623 .338072 .168394 .006945 .008870 .010343 .000552 .002561 .000061 |
|
O2A .121796 .499456 .332257 .012463 .007706 .015098 -.003095 .006431 -.001860 |
|
O3A .104273 .261443 .577367 .009529 .023048 .021750 .000771 .004716 .014694 |
|
O1B .373641 .836556 .135162 .006955 .009545 .010658 .000662 .003365 .000231 |
|
O2B .628838 .987875 .372137 .014697 .011472 .021551 -.005798 .010660 -.007682 |
|
O3B .604938 .709177 .481186 .008496 .020463 .014511 .000443 .004128 .007844 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 240 min |
|
_database_code_amcsd 0003981 |
|
9.7086 8.9421 5.2473 90 108.503 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255305 .016890 .227899 .1537 .009718 .011363 .006924 .000380 .000717 .001736 |
|
FeM2A .255305 .016890 .227899 .6267 .009718 .011363 .006924 .000380 .000717 .001736 |
|
CaM2A .255305 .016890 .227899 .0774 .009718 .011363 .006924 .000380 .000717 .001736 |
|
MnM2A .255305 .016890 .227899 .0258 .009718 .011363 .006924 .000380 .000717 .001736 |
|
NaM2A .255305 .016890 .227899 .0030 .009718 .011363 .006924 .000380 .000717 .001736 |
|
CaM2B .254254 .050202 .250248 .1133 .011704 |
|
MgM1 .250461 .654632 .231609 .7647 .007675 .007194 .007838 .000095 .002625 .000328 |
|
Fe2+M1 .250461 .654632 .231609 .2074 .007675 .007194 .007838 .000095 .002625 .000328 |
|
Fe3+M1 .250461 .654632 .231609 .0148 .007675 .007194 .007838 .000095 .002625 .000328 |
|
TiM1 .250461 .654632 .231609 .0101 .007675 .007194 .007838 .000095 .002625 .000328 |
|
MnM1 .250461 .654632 .231609 .0029 .007675 .007194 .007838 .000095 .002625 .000328 |
|
SiA .042718 .340542 .276645 .005841 .006635 .009774 -.000508 .003413 -.000646 |
|
SiB .549430 .837459 .238439 .9840 .006168 .006558 .007756 -.000985 .002808 -.000876 |
|
AlB .549430 .837459 .238439 .0160 .006168 .006558 .007756 -.000985 .002808 -.000876 |
|
O1A .867550 .338125 .168674 .006517 .009713 .009685 .000315 .002815 -.000242 |
|
O2A .121644 .499373 .331955 .012152 .008849 .013529 -.003174 .006261 -.001413 |
|
O3A .104077 .261626 .577597 .008705 .022937 .020056 .000704 .004239 .013726 |
|
O1B .373622 .836601 .134632 .006664 .010314 .009731 .000462 .003133 -.000133 |
|
O2B .628993 .987466 .372854 .013985 .011766 .021253 -.005932 .009845 -.007153 |
|
O3B .604874 .709021 .480717 .007487 .020526 .013116 .000661 .003153 .007827 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 360 min |
|
_database_code_amcsd 0003982 |
|
9.7074 8.9415 5.2468 90 108.485 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255270 .016773 .227820 .1570 .009797 .011102 .006885 .000386 .000679 .001637 |
|
FeM2A .255270 .016773 .227820 .6232 .009797 .011102 .006885 .000386 .000679 .001637 |
|
CaM2A .255270 .016773 .227820 .0666 .009797 .011102 .006885 .000386 .000679 .001637 |
|
MnM2A .255270 .016773 .227820 .0258 .009797 .011102 .006885 .000386 .000679 .001637 |
|
NaM2A .255270 .016773 .227820 .0030 .009797 .011102 .006885 .000386 .000679 .001637 |
|
CaM2B .254799 .049106 .249403 .1244 .013358 |
|
MgM1 .250463 .654616 .231631 .7611 .007924 .007282 .007881 .000176 .002620 .000379 |
|
Fe2+M1 .250463 .654616 .231631 .2110 .007924 .007282 .007881 .000176 .002620 .000379 |
|
Fe3+M1 .250463 .654616 .231631 .0148 .007924 .007282 .007881 .000176 .002620 .000379 |
|
TiM1 .250463 .654616 .231631 .0101 .007924 .007282 .007881 .000176 .002620 .000379 |
|
MnM1 .250463 .654616 .231631 .0030 .007924 .007282 .007881 .000176 .002620 .000379 |
|
SiA .042706 .340582 .276597 .005926 .006632 .009990 -.000471 .003338 -.000611 |
|
SiB .549432 .837431 .238503 .9840 .006322 .006627 .007951 -.000971 .002810 -.000869 |
|
AlB .549432 .837431 .238503 .0160 .006322 .006627 .007951 -.000971 .002810 -.000869 |
|
O1A .867574 .338142 .168858 .006678 .009500 .009793 .000234 .002697 -.000181 |
|
O2A .121712 .499262 .332009 .012948 .008632 .013529 -.003046 .006316 -.001521 |
|
O3A .104119 .261495 .577342 .008467 .022841 .021137 .000755 .004297 .013864 |
|
O1B .373585 .836679 .134626 .007116 .009783 .010135 .000401 .003060 -.000094 |
|
O2B .628958 .987497 .372795 .014674 .011892 .020790 -.005774 .010092 -.007110 |
|
O3B .604788 .709179 .480857 .007988 .020068 .013646 .001061 .003756 .007464 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 840 min |
|
_database_code_amcsd 0003983 |
|
9.7083 8.9419 5.2481 90 108.496 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255350 .016998 .227835 .1638 .010076 .011664 .006989 .000526 .000531 .001827 |
|
FeM2A .255350 .016998 .227835 .6168 .010076 .011664 .006989 .000526 .000531 .001827 |
|
CaM2A .255350 .016998 .227835 .0818 .010076 .011664 .006989 .000526 .000531 .001827 |
|
MnM2A .255350 .016998 .227835 .0256 .010076 .011664 .006989 .000526 .000531 .001827 |
|
NaM2A .255350 .016998 .227835 .0030 .010076 .011664 .006989 .000526 .000531 .001827 |
|
CaM2B .254006 .049964 .250523 .1090 .012862 |
|
MgM1 .250458 .654636 .231614 .7555 .008114 .007295 .007803 .000129 .002486 .000376 |
|
Fe2+M1 .250458 .654636 .231614 .2165 .008114 .007295 .007803 .000129 .002486 .000376 |
|
Fe3+M1 .250458 .654636 .231614 .0147 .008114 .007295 .007803 .000129 .002486 .000376 |
|
TiM1 .250458 .654636 .231614 .0101 .008114 .007295 .007803 .000129 .002486 .000376 |
|
MnM1 .250458 .654636 .231614 .0031 .008114 .007295 .007803 .000129 .002486 .000376 |
|
SiA .042773 .340485 .276644 .006343 .006583 .010066 -.000480 .003513 -.000497 |
|
SiB .549476 .837426 .238619 .9840 .006577 .006701 .007699 -.000973 .002872 -.000866 |
|
AlB .549476 .837426 .238619 .0160 .006577 .006701 .007699 -.000973 .002872 -.000866 |
|
O1A .867700 .338268 .168992 .007240 .009438 .009464 .000348 .002843 .000026 |
|
O2A .121729 .499420 .332068 .012667 .008788 .013187 -.003050 .005932 -.001450 |
|
O3A .104064 .261685 .577778 .008956 .022733 .020495 .000523 .004326 .013274 |
|
O1B .373752 .836774 .134780 .007120 .009922 .010009 .000104 .003076 .000034 |
|
O2B .629048 .987627 .372865 .014394 .012164 .020520 -.005910 .009837 -.007271 |
|
O3B .604800 .709020 .480661 .008604 .020696 .012748 .000691 .003710 .007679 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 1680 min |
|
_database_code_amcsd 0003984 |
|
9.7050 8.9419 5.2454 90 108.485 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255294 .016983 .227843 .1633 .009888 .011808 .007204 .000392 .000669 .001650 |
|
FeM2A .255294 .016983 .227843 .6173 .009888 .011808 .007204 .000392 .000669 .001650 |
|
CaM2A .255294 .016983 .227843 .0798 .009888 .011808 .007204 .000392 .000669 .001650 |
|
MnM2A .255294 .016983 .227843 .0258 .009888 .011808 .007204 .000392 .000669 .001650 |
|
NaM2A .255294 .016983 .227843 .0029 .009888 .011808 .007204 .000392 .000669 .001650 |
|
CaM2B .254803 .049987 .251073 .1109 .012528 |
|
MgM1 .250486 .654615 .231632 .7537 .007833 .007442 .007987 .000070 .002677 .000376 |
|
Fe2+M1 .250486 .654615 .231632 .2182 .007833 .007442 .007987 .000070 .002677 .000376 |
|
Fe3+M1 .250486 .654615 .231632 .0149 .007833 .007442 .007987 .000070 .002677 .000376 |
|
TiM1 .250486 .654615 .231632 .0100 .007833 .007442 .007987 .000070 .002677 .000376 |
|
MnM1 .250486 .654615 .231632 .0031 .007833 .007442 .007987 .000070 .002677 .000376 |
|
SiA .042737 .340507 .276730 .006024 .006895 .010060 -.000566 .003481 -.000597 |
|
SiB .549473 .837436 .238531 .9840 .006275 .006962 .007882 -.001109 .002928 -.000931 |
|
AlB .549473 .837436 .238531 .0160 .006275 .006962 .007882 -.001109 .002928 -.000931 |
|
O1A .867461 .338201 .168841 .006385 .009842 .009864 .000404 .002548 -.000102 |
|
O2A .121810 .499265 .332051 .012511 .009078 .013444 -.003188 .006268 -.001488 |
|
O3A .104200 .261853 .578004 .008954 .023127 .020415 .000895 .004816 .013771 |
|
O1B .373691 .836795 .134666 .007003 .010440 .010018 .000527 .003254 -.000206 |
|
O2B .629186 .987420 .372973 .014439 .012151 .021478 -.006047 .010388 -.007216 |
|
O3B .604876 .709111 .480893 .008436 .020555 .013420 .000648 .003969 .007856 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 3120 min |
|
_database_code_amcsd 0003985 |
|
9.7096 8.9413 5.2470 90 108.499 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255332 .016890 .227805 .1659 .010164 .011509 .007187 .000461 .000689 .001758 |
|
FeM2A .255332 .016890 .227805 .6145 .010164 .011509 .007187 .000461 .000689 .001758 |
|
CaM2A .255332 .016890 .227805 .0798 .010164 .011509 .007187 .000461 .000689 .001758 |
|
MnM2A .255332 .016890 .227805 .0256 .010164 .011509 .007187 .000461 .000689 .001758 |
|
NaM2A .255332 .016890 .227805 .0030 .010164 .011509 .007187 .000461 .000689 .001758 |
|
CaM2B .254466 .049217 .249712 .1111 .012476 |
|
MgM1 .250454 .654611 .231556 .7534 .008184 .007012 .007883 .000113 .002620 .000370 |
|
Fe2+M1 .250454 .654611 .231556 .2186 .008184 .007012 .007883 .000113 .002620 .000370 |
|
Fe3+M1 .250454 .654611 .231556 .0148 .008184 .007012 .007883 .000113 .002620 .000370 |
|
TiM1 .250454 .654611 .231556 .0101 .008184 .007012 .007883 .000113 .002620 .000370 |
|
MnM1 .250454 .654611 .231556 .0031 .008184 .007012 .007883 .000113 .002620 .000370 |
|
SiA .042715 .340487 .276703 .006316 .006487 .010009 -.000608 .003648 -.000663 |
|
SiB .549474 .837394 .238494 .9840 .006553 .006335 .007861 -.001068 .002813 -.000849 |
|
AlB .549474 .837394 .238494 .0160 .006553 .006335 .007861 -.001068 .002813 -.000849 |
|
O1A .867631 .338223 .168908 .007266 .009184 .009761 .000247 .003093 -.000141 |
|
O2A .121763 .499324 .332289 .012764 .008255 .013775 -.003476 .006189 -.001537 |
|
O3A .104158 .261651 .577691 .009004 .023037 .020501 .000727 .004152 .014218 |
|
O1B .373622 .836789 .134527 .007039 .010057 .009897 .000543 .003130 -.000039 |
|
O2B .628987 .987459 .373039 .014092 .011448 .021322 -.005840 .009883 -.007214 |
|
O3B .604950 .708981 .480852 .008381 .019804 .013387 .000673 .003609 .007481 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 7440 min |
|
_database_code_amcsd 0003986 |
|
9.7079 8.9442 5.2463 90 108.485 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255282 .016979 .227891 .1634 .010235 .011727 .007250 .000479 .000740 .001642 |
|
FeM2A .255282 .016979 .227891 .6171 .010235 .011727 .007250 .000479 .000740 .001642 |
|
CaM2A .255282 .016979 .227891 .0821 .010235 .011727 .007250 .000479 .000740 .001642 |
|
MnM2A .255282 .016979 .227891 .0257 .010235 .011727 .007250 .000479 .000740 .001642 |
|
NaM2A .255282 .016979 .227891 .0030 .010235 .011727 .007250 .000479 .000740 .001642 |
|
CaM2B .254589 .049760 .250257 .1087 .011886 |
|
MgM1 .250489 .654620 .231584 .7550 .007807 .007142 .007782 .000092 .002566 .000387 |
|
Fe2+M1 .250489 .654620 .231584 .2170 .007807 .007142 .007782 .000092 .002566 .000387 |
|
Fe3+M1 .250489 .654620 .231584 .0148 .007807 .007142 .007782 .000092 .002566 .000387 |
|
TiM1 .250489 .654620 .231584 .0101 .007807 .007142 .007782 .000092 .002566 .000387 |
|
MnM1 .250489 .654620 .231584 .0031 .007807 .007142 .007782 .000092 .002566 .000387 |
|
SiA .042729 .340477 .276749 .006018 .006584 .009977 -.000578 .003327 -.000570 |
|
SiB .549506 .837426 .238473 .9840 .006361 .006651 .007930 -.001073 .002945 -.000870 |
|
AlB .549506 .837426 .238473 .0160 .006361 .006651 .007930 -.001073 .002945 -.000870 |
|
O1A .867635 .338173 .169103 .006813 .009824 .009486 .000284 .002934 -.000095 |
|
O2A .121774 .499274 .331896 .012401 .008987 .013184 -.003211 .005978 -.001634 |
|
O3A .104166 .261712 .578019 .008786 .022801 .020595 .000888 .004273 .013765 |
|
O1B .373694 .836702 .134815 .006744 .010149 .010391 .0006 .003333 -.000071 |
|
O2B .629061 .987535 .372930 .014553 .012035 .021052 -.006006 .010667 -.007435 |
|
O3B .604928 .708950 .480703 .008435 .020421 .013397 .000597 .003743 .007760 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 9 min |
|
_database_code_amcsd 0003987 |
|
9.7071 8.9425 5.2463 90 108.484 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255386 .016861 .227773 .1738 .009888 .011298 .006892 .000573 .000550 .001875 |
|
FeM2A .255386 .016861 .227773 .6067 .009888 .011298 .006892 .000573 .000550 .001875 |
|
CaM2A .255386 .016861 .227773 .0792 .009888 .011298 .006892 .000573 .000550 .001875 |
|
MnM2A .255386 .016861 .227773 .0256 .009888 .011298 .006892 .000573 .000550 .001875 |
|
NaM2A .255386 .016861 .227773 .0029 .009888 .011298 .006892 .000573 .000550 .001875 |
|
CaM2B .253983 .049861 .249172 .1116 .011967 |
|
MgM1 .250472 .654568 .231437 .7426 .008038 .007402 .007742 .000081 .002435 .000412 |
|
Fe2+M1 .250472 .654568 .231437 .2291 .008038 .007402 .007742 .000081 .002435 .000412 |
|
Fe3+M1 .250472 .654568 .231437 .0149 .008038 .007402 .007742 .000081 .002435 .000412 |
|
TiM1 .250472 .654568 .231437 .0100 .008038 .007402 .007742 .000081 .002435 .000412 |
|
MnM1 .250472 .654568 .231437 .0033 .008038 .007402 .007742 .000081 .002435 .000412 |
|
SiA .042781 .340544 .276939 .006008 .006603 .009983 -.000481 .003388 -.000685 |
|
SiB .549499 .837407 .238443 .9840 .006311 .006519 .007882 -.001010 .002816 -.000861 |
|
AlB .549499 .837407 .238443 .0160 .006311 .006519 .007882 -.001010 .002816 -.000861 |
|
O1A .867560 .338272 .169183 .006893 .009713 .009155 .000201 .002802 -.000276 |
|
O2A .121725 .499367 .331784 .012955 .008593 .013594 -.003590 .006479 -.001405 |
|
O3A .104015 .262078 .578104 .008426 .022430 .020490 .000198 .004085 .013388 |
|
O1B .373548 .836715 .134465 .007051 .009972 .009633 .000398 .002988 -.000168 |
|
O2B .629062 .987312 .372932 .014249 .012329 .020598 -.005805 .009906 -.007271 |
|
O3B .604799 .708806 .480798 .007915 .019111 .013706 .000425 .003154 .007400 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 15 min |
|
_database_code_amcsd 0003988 |
|
9.7100 8.9425 5.2470 90 108.495 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255352 .016884 .227763 .1766 .010160 .011325 .007292 .000549 .000861 .001776 |
|
FeM2A .255352 .016884 .227763 .6035 .010160 .011325 .007292 .000549 .000861 .001776 |
|
CaM2A .255352 .016884 .227763 .0854 .010160 .011325 .007292 .000549 .000861 .001776 |
|
MnM2A .255352 .016884 .227763 .0254 .010160 .011325 .007292 .000549 .000861 .001776 |
|
NaM2A .255352 .016884 .227763 .0030 .010160 .011325 .007292 .000549 .000861 .001776 |
|
CaM2B .254228 .050635 .249672 .1060 .010891 |
|
MgM1 .250485 .654544 .231401 .7427 .008019 .006922 .007716 .000121 .002658 .000391 |
|
Fe2+M1 .250485 .654544 .231401 .2291 .008019 .006922 .007716 .000121 .002658 .000391 |
|
Fe3+M1 .250485 .654544 .231401 .0148 .008019 .006922 .007716 .000121 .002658 .000391 |
|
TiM1 .250485 .654544 .231401 .0101 .008019 .006922 .007716 .000121 .002658 .000391 |
|
MnM1 .250485 .654544 .231401 .0033 .008019 .006922 .007716 .000121 .002658 .000391 |
|
SiA .042730 .340529 .276987 .006270 .006402 .010099 -.000466 .003713 -.000652 |
|
SiB .549506 .837414 .238500 .9840 .006515 .006273 .008035 -.000936 .002964 -.000871 |
|
AlB .549506 .837414 .238500 .0160 .006515 .006273 .008035 -.000936 .002964 -.000871 |
|
O1A .867569 .338344 .169231 .006948 .009497 .009704 .000215 .002950 -.000118 |
|
O2A .121805 .499435 .331915 .013088 .008483 .013538 -.003161 .006236 -.001465 |
|
O3A .104015 .261724 .577531 .008534 .021421 .021151 .000509 .004146 .013361 |
|
O1B .373623 .836731 .134554 .007438 .009877 .010243 .000308 .003324 -.000143 |
|
O2B .629058 .987268 .373140 .014229 .012135 .020847 -.005885 .009569 -.007278 |
|
O3B .604826 .709132 .480646 .007849 .019519 .013338 .000240 .003296 .007327 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 25 min |
|
_database_code_amcsd 0003989 |
|
9.7086 8.9436 5.2464 90 108.491 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255343 .017083 .227875 .1809 .009868 .011695 .007013 .000707 .000697 .001897 |
|
FeM2A .255343 .017083 .227875 .5998 .009868 .011695 .007013 .000707 .000697 .001897 |
|
CaM2A .255343 .017083 .227875 .0918 .009868 .011695 .007013 .000707 .000697 .001897 |
|
MnM2A .255343 .017083 .227875 .0254 .009868 .011695 .007013 .000707 .000697 .001897 |
|
NaM2A .255343 .017083 .227875 .0030 .009868 .011695 .007013 .000707 .000697 .001897 |
|
CaM2B .253806 .052197 .250425 .0991 .012219 |
|
MgM1 .250453 .654551 .231361 .7378 .008041 .007175 .007714 .000087 .002570 .000422 |
|
Fe2+M1 .250453 .654551 .231361 .2339 .008041 .007175 .007714 .000087 .002570 .000422 |
|
Fe3+M1 .250453 .654551 .231361 .0148 .008041 .007175 .007714 .000087 .002570 .000422 |
|
TiM1 .250453 .654551 .231361 .0101 .008041 .007175 .007714 .000087 .002570 .000422 |
|
MnM1 .250453 .654551 .231361 .0034 .008041 .007175 .007714 .000087 .002570 .000422 |
|
SiA .042783 .340542 .277152 .006036 .006595 .010076 -.000511 .003321 -.000719 |
|
SiB .549492 .837440 .238445 .9840 .006405 .006396 .007766 -.001012 .002780 -.000951 |
|
AlB .549492 .837440 .238445 .0160 .006405 .006396 .007766 -.001012 .002780 -.000951 |
|
O1A .867637 .338348 .169093 .006772 .009877 .009668 .000102 .002454 -.000101 |
|
O2A .121619 .499310 .331960 .012958 .008570 .013053 -.003038 .006049 -.001390 |
|
O3A .104192 .261874 .577904 .008636 .022006 .020389 .000708 .004432 .013121 |
|
O1B .373669 .836715 .134376 .006945 .010397 .009739 .000434 .002994 -.000251 |
|
O2B .629019 .987257 .373130 .014413 .012079 .020820 -.005423 .010095 -.007376 |
|
O3B .604865 .709118 .480576 .007414 .019925 .013782 .000533 .002983 .007893 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 50 min |
|
_database_code_amcsd 0003990 |
|
9.7100 8.9462 5.2480 90 108.494 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255397 .017006 .227798 .1853 .010350 .011857 .007178 .000642 .000714 .001838 |
|
FeM2A .255397 .017006 .227798 .5953 .010350 .011857 .007178 .000642 .000714 .001838 |
|
CaM2A .255397 .017006 .227798 .0905 .010350 .011857 .007178 .000642 .000714 .001838 |
|
MnM2A .255397 .017006 .227798 .0254 .010350 .011857 .007178 .000642 .000714 .001838 |
|
NaM2A .255397 .017006 .227798 .0030 .010350 .011857 .007178 .000642 .000714 .001838 |
|
CaM2B .254139 .050652 .250382 .1005 .011767 |
|
MgM1 .250475 .654558 .231353 .7323 .008199 .007122 .007921 .000138 .002570 .000401 |
|
Fe2+M1 .250475 .654558 .231353 .2393 .008199 .007122 .007921 .000138 .002570 .000401 |
|
Fe3+M1 .250475 .654558 .231353 .0149 .008199 .007122 .007921 .000138 .002570 .000401 |
|
TiM1 .250475 .654558 .231353 .0101 .008199 .007122 .007921 .000138 .002570 .000401 |
|
MnM1 .250475 .654558 .231353 .0035 .008199 .007122 .007921 .000138 .002570 .000401 |
|
SiA .042771 .340522 .277198 .006160 .006592 .009959 -.000488 .003532 -.000605 |
|
SiB .549509 .837405 .238559 .9840 .006617 .006437 .007905 -.001008 .002763 -.000890 |
|
AlB .549509 .837405 .238559 .0160 .006617 .006437 .007905 -.001008 .002763 -.000890 |
|
O1A .867664 .338357 .169539 .007044 .009817 .009801 .000191 .002751 -.000162 |
|
O2A .121695 .499396 .331926 .012467 .008826 .013610 -.003155 .005867 -.001246 |
|
O3A .103940 .261971 .578301 .008532 .022395 .020475 .000785 .004466 .013504 |
|
O1B .373889 .836792 .134805 .007349 .010502 .009671 .000214 .002998 -.000258 |
|
O2B .629044 .987291 .373286 .014641 .012154 .020885 -.005733 .010017 -.007235 |
|
O3B .604797 .708908 .480566 .007590 .020180 .013441 .000519 .003159 .007791 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 100 min |
|
_database_code_amcsd 0003991 |
|
9.7103 8.9444 5.2490 90 108.468 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255430 .016601 .227333 .1840 .010072 .010993 .006725 .000400 .000808 .001990 |
|
FeM2A .255430 .016601 .227333 .5962 .010072 .010993 .006725 .000400 .000808 .001990 |
|
CaM2A .255430 .016601 .227333 .0585 .010072 .010993 .006725 .000400 .000808 .001990 |
|
MnM2A .255430 .016601 .227333 .0256 .010072 .010993 .006725 .000400 .000808 .001990 |
|
NaM2A .255430 .016601 .227333 .0029 .010072 .010993 .006725 .000400 .000808 .001990 |
|
CaM2B .254117 .047268 .248772 .1327 .014292 |
|
MgM1 .250473 .654505 .231278 .7314 .008074 .006995 .007481 .000076 .002562 .000376 |
|
Fe2+M1 .250473 .654505 .231278 .2402 .008074 .006995 .007481 .000076 .002562 .000376 |
|
Fe3+M1 .250473 .654505 .231278 .0149 .008074 .006995 .007481 .000076 .002562 .000376 |
|
TiM1 .250473 .654505 .231278 .0100 .008074 .006995 .007481 .000076 .002562 .000376 |
|
MnM1 .250473 .654505 .231278 .0036 .008074 .006995 .007481 .000076 .002562 .000376 |
|
SiA .042806 .340572 .277299 .006224 .006421 .009968 -.000532 .003488 -.000661 |
|
SiB .549537 .837392 .238408 .9840 .006507 .006317 .007845 -.001050 .002804 -.000866 |
|
AlB .549537 .837392 .238408 .0160 .006507 .006317 .007845 -.001050 .002804 -.000866 |
|
O1A .867713 .338339 .169512 .006806 .009610 .009625 .000131 .002942 -.000050 |
|
O2A .121601 .499343 .331794 .013119 .008838 .013213 -.003485 .006653 -.001453 |
|
O3A .103990 .262082 .578175 .008584 .021332 .020489 .000231 .003929 .012907 |
|
O1B .373728 .836778 .134502 .006996 .010242 .009970 .000416 .003045 -.000200 |
|
O2B .628888 .987282 .372944 .014269 .012262 .020971 -.005886 .010061 -.007429 |
|
O3B .604697 .709102 .480355 .008074 .018918 .013843 .000482 .003218 .007726 |
|
|
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 250 min |
|
_database_code_amcsd 0003992 |
|
9.7109 8.9437 5.2477 90 108.469 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2A .255369 .016985 .227765 .1868 .010437 .011529 .007228 .000656 .000694 .001797 |
|
FeM2A .255369 .016985 .227765 .5939 .010437 .011529 .007228 .000656 .000694 .001797 |
|
CaM2A .255369 .016985 .227765 .0937 .010437 .011529 .007228 .000656 .000694 .001797 |
|
MnM2A .255369 .016985 .227765 .0254 .010437 .011529 .007228 .000656 .000694 .001797 |
|
NaM2A .255369 .016985 .227765 .0029 .010437 .011529 .007228 .000656 .000694 .001797 |
|
CaM2B .254379 .052024 .250193 .0973 .010276 |
|
MgM1 .250443 .654518 .231293 .7300 .008093 .006802 .007662 .000146 .002403 .000400 |
|
Fe2+M1 .250443 .654518 .231293 .2415 .008093 .006802 .007662 .000146 .002403 .000400 |
|
Fe3+M1 .250443 .654518 .231293 .0148 .008093 .006802 .007662 .000146 .002403 .000400 |
|
TiM1 .250443 .654518 .231293 .0101 .008093 .006802 .007662 .000146 .002403 .000400 |
|
MnM1 .250443 .654518 .231293 .0036 .008093 .006802 .007662 .000146 .002403 .000400 |
|
SiA .042780 .340531 .277224 .006318 .006352 .009809 -.000548 .003477 -.000611 |
|
SiB .549561 .837388 .238439 .9840 .006602 .006230 .007792 -.000950 .002750 -.000881 |
|
AlB .549561 .837388 .238439 .0160 .006602 .006230 .007792 -.000950 .002750 -.000881 |
|
O1A .867607 .338382 .169391 .006799 .009828 .009211 .000196 .002431 -.000182 |
|
O2A .121791 .499300 .331729 .013106 .008417 .013068 -.003348 .006254 -.001415 |
|
O3A .104162 .262175 .578144 .009198 .022251 .020564 .000269 .004081 .013764 |
|
O1B .373661 .836811 .134652 .007207 .009612 .010073 .000289 .003052 -.000312 |
|
O2B .629184 .987272 .373287 .015278 .011497 .021002 -.006026 .010266 -.007419 |
|
O3B .604825 .708772 .480497 .007975 .019475 .013004 .000305 .003367 .007564 |
|
|
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|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 0.0001 GPa |
|
_database_code_amcsd 0005003 |
|
9.749 8.937 5.246 90 108.49 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2505 .6546 .2322 .253 .0104 |
|
MgA .2505 .6546 .2322 .747 .0104 |
|
FeB .2558 .0177 .2294 .755 .0135 |
|
MgB .2558 .0177 .2294 .124 .0135 |
|
CaB .246 .039 .264 .121 .03 |
|
SiA .0428 .3400 .2745 .99 .0086 |
|
AlA .0428 .3400 .2745 .01 .0086 |
|
SiB .5482 .8383 .2384 .99 .0089 |
|
AlB .5482 .8383 .2384 .01 .0089 |
|
O1A .867 .3374 .168 .008 |
|
O1B .373 .8373 .133 .009 |
|
O2A .118 .4971 .330 .012 |
|
O2B .633 .9886 .372 .017 |
|
O3A .100 .2599 .572 .020 |
|
O3B .607 .7130 .484 .016 |
|
|
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 0.047 GPa |
|
_database_code_amcsd 0005004 |
|
9.722 8.941 5.247 90 108.5 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2514 .6549 .2331 .253 .0113 |
|
MgA .2514 .6549 .2331 .747 .0113 |
|
FeB .2564 .0188 .2300 .755 .0142 |
|
MgB .2564 .0188 .2300 .124 .0142 |
|
CaB .252 .027 .283 .121 .03 |
|
SiA .0432 .3401 .2748 .99 .0100 |
|
AlA .0432 .3401 .2748 .01 .0100 |
|
SiB .5477 .8377 .2385 .99 .0083 |
|
AlB .5477 .8377 .2385 .01 .0083 |
|
O1A .869 .3378 .170 .012 |
|
O1B .371 .8379 .133 .009 |
|
O2A .123 .4987 .333 .011 |
|
O2B .628 .9868 .367 .020 |
|
O3A .104 .2621 .574 .020 |
|
O3B .606 .7128 .484 .018 |
|
|
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 0.984 GPa |
|
_database_code_amcsd 0005005 |
|
9.701 8.887 5.226 90 108.38 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2520 .6560 .2328 .253 .0115 |
|
MgA .2520 .6560 .2328 .747 .0115 |
|
FeB .2559 .0206 .2280 .755 .0140 |
|
MgB .2559 .0206 .2280 .124 .0140 |
|
CaB .248 .016 .281 .121 .03 |
|
SiA .0428 .3411 .2747 .99 .0106 |
|
AlA .0428 .3411 .2747 .01 .0106 |
|
SiB .5489 .8370 .2375 .99 .0088 |
|
AlB .5489 .8370 .2375 .01 .0088 |
|
O1A .870 .3409 .170 .010 |
|
O1B .372 .8375 .132 .010 |
|
O2A .123 .4999 .333 .009 |
|
O2B .627 .989 .368 .019 |
|
O3A .105 .260 .576 .021 |
|
O3B .606 .711 .478 .017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 1.794 GPa |
|
_database_code_amcsd 0005006 |
|
9.659 8.877 5.218 90 108.09 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2513 .6559 .2305 .253 .0108 |
|
MgA .2513 .6559 .2305 .747 .0108 |
|
FeB .2564 .0205 .2272 .755 .0134 |
|
MgB .2564 .0205 .2272 .124 .0134 |
|
CaB .250 .033 .279 .121 .03 |
|
SiA .0426 .3416 .2736 .99 .0097 |
|
AlA .0426 .3416 .2736 .01 .0097 |
|
SiB .5492 .8382 .2360 .99 .0085 |
|
AlB .5492 .8382 .2360 .01 .0085 |
|
O1A .868 .3380 .169 .009 |
|
O1B .373 .8385 .133 .010 |
|
O2A .123 .5002 .333 .013 |
|
O2B .627 .9894 .370 .015 |
|
O3A .102 .260 .572 .024 |
|
O3B .605 .709 .475 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 3.167 GPa |
|
_database_code_amcsd 0005007 |
|
9.621 8.827 5.199 90 107.82 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2509 .6565 .2286 .253 .0103 |
|
MgA .2509 .6565 .2286 .747 .0103 |
|
FeB .2573 .0219 .2245 .755 .0120 |
|
MgB .2573 .0219 .2245 .124 .0120 |
|
CaB .238 .033 .256 .121 .03 |
|
SiA .0412 .3417 .2732 .99 .0099 |
|
AlA .0412 .3417 .2732 .01 .0099 |
|
SiB .5499 .8378 .2332 .99 .0071 |
|
AlB .5499 .8378 .2332 .01 .0071 |
|
O1A .8676 .3400 .171 .010 |
|
O1B .3742 .8373 .131 .009 |
|
O2A .1200 .5035 .330 .009 |
|
O2B .6259 .9876 .370 .015 |
|
O3A .104 .2623 .573 .022 |
|
O3B .6070 .7059 .470 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 3.172 GPa |
|
_database_code_amcsd 0005008 |
|
9.622 8.861 5.181 90 107.92 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2505 .6563 .2284 .253 .0100 |
|
MgA .2505 .6563 .2284 .747 .0100 |
|
FeB .2562 .0218 .2234 .755 .0111 |
|
MgB .2562 .0218 .2234 .124 .0111 |
|
CaB .251 .028 .277 .121 .03 |
|
SiA .0418 .3417 .2740 .99 .0086 |
|
AlA .0418 .3417 .2740 .01 .0086 |
|
SiB .5497 .8380 .2334 .99 .0079 |
|
AlB .5497 .8380 .2334 .01 .0079 |
|
O1A .8668 .3381 .171 .008 |
|
O1B .3741 .8374 .131 .008 |
|
O2A .1187 .5021 .329 .012 |
|
O2B .628 .9878 .371 .013 |
|
O3A .103 .2616 .575 .020 |
|
O3B .607 .7055 .471 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 3.587 GPa |
|
_database_code_amcsd 0005009 |
|
9.518 8.804 5.056 90 104.04 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9063 .25 .253 .0096 |
|
MgA 0 .9063 .25 .747 .0096 |
|
FeB 0 .2775 .25 .755 .0150 |
|
MgB 0 .2775 .25 .124 .0150 |
|
CaB 0 .2775 .25 .121 .0150 |
|
Si .2957 .0905 .2240 .0075 |
|
Al .2957 .0905 .2240 .0075 |
|
O1 .1221 .0895 .1431 .010 |
|
O2 .3741 .2400 .3598 .012 |
|
O3 .3521 .0485 .948 .015 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 3.649 GPa |
|
_database_code_amcsd 0005010 |
|
9.494 8.818 5.060 90 104.11 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9064 .25 .253 .0098 |
|
MgA 0 .9064 .25 .747 .0098 |
|
FeB 0 .2779 .25 .755 .0157 |
|
MgB 0 .2779 .25 .124 .0157 |
|
CaB 0 .2779 .25 .121 .0157 |
|
Si .2956 .0905 .2237 .99 .0081 |
|
Al .2956 .0905 .2237 .01 .0081 |
|
O1 .1216 .0893 .143 .001 |
|
O2 .3732 .2395 .360 .012 |
|
O3 .3517 .0496 .945 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 6.409 GPa |
|
_database_code_amcsd 0005011 |
|
9.434 8.745 5.014 90 103.44 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9072 .25 .253 .0108 |
|
MgA 0 .9072 .25 .747 .0108 |
|
FeB 0 .2792 .25 .755 .0146 |
|
MgB 0 .2792 .25 .124 .0146 |
|
CaB 0 .2792 .25 .121 .0146 |
|
Si .2957 .0912 .2207 .99 .0084 |
|
Al .2957 .0912 .2207 .01 .0084 |
|
O1 .1209 .0891 .141 .009 |
|
O2 .3738 .2408 .359 .012 |
|
O3 .3527 .0509 .939 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 7.762 GPa |
|
_database_code_amcsd 0005012 |
|
9.402 8.716 4.996 90 103.28 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9077 .25 .253 .0113 |
|
MgA 0 .9077 .25 .747 .0113 |
|
FeB 0 .2797 .25 .755 .0148 |
|
MgB 0 .2797 .25 .124 .0148 |
|
CaB 0 .2797 .25 .121 .0148 |
|
Si .2959 .0911 .2203 .99 .0090 |
|
Al .2959 .0911 .2203 .01 .0090 |
|
O1 .1218 .0889 .142 .008 |
|
O2 .3739 .2411 .360 .013 |
|
O3 .3517 .0523 .936 .015 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
| |
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 9.405 GPa |
|
_database_code_amcsd 0005013 |
|
9.366 8.682 4.974 90 103.09 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9080 .25 .253 .011 |
|
MgA 0 .9080 .25 .747 .011 |
|
FeB 0 .2805 .25 .755 .014 |
|
MgB 0 .2805 .25 .124 .014 |
|
CaB 0 .2805 .25 .121 .014 |
|
Si .2954 .0911 .2188 .99 .0083 |
|
Al .2954 .0911 .2188 .01 .0083 |
|
O1 .1217 .0890 .139 .007 |
|
O2 .3732 .2428 .361 .010 |
|
O3 .352 .0523 .935 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chiavennite |
|
Tazzoli V, Domeneghetti M C, Mazzi F, Cannillo E |
| |
European Journal of Mineralogy 7 (1995) 1339-1334 |
|
The crystal structure of chiavennite |
|
_database_code_amcsd 0006609 |
|
8.729 31.326 4.903 90 90 90 Pnab |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .2500 .0879 0 .0183 .0275 .0138 .0138 0 .0004 0 |
|
Mn 0 0 0 .0152 .0234 .0122 .0099 -.0018 0 .0005 |
|
Be -.0003 .0572 -.4298 .0090 .0166 .0075 .0029 -.0010 .0056 -.0030 |
|
Si1 .2500 .0013 .5000 .0124 .0170 .0100 .0101 0 -.0014 0 |
|
Si2 .5838 .2322 .1047 .0185 .0222 .0113 .0218 .0022 .0023 .0009 |
|
Si3 .1425 -.1351 .2436 .0194 .0213 .0120 .0250 -.0005 -.0028 .0013 |
|
O1 .1392 -.0279 .3134 .0155 .0169 .0124 .0171 -.0011 -.0019 -.0039 |
|
O2 .1517 .0324 -.2957 .0153 .0196 .0123 .0139 .0011 -.0007 -.0015 |
|
O3 .0414 .2391 .1347 .0409 .0357 .0431 .0437 .0011 -.0136 -.0149 |
|
O4 .2500 -.2478 0 .0285 .0294 .0190 .0371 0 .0088 0 |
|
O5 .2500 -.1187 0 .0773 .0768 .0314 .1236 0 .0821 0 |
|
O6 .2500 -.1387 .5000 .1049 .1139 .0510 .1497 0 -.1032 0 |
|
O7 .0800 -.1824 .1773 .0342 .0350 .0141 .0534 -.0026 .0091 -.0109 |
|
O8 .0005 -.1044 .2905 .0207 .0250 .0132 .0239 -.0033 .0043 -.0058 |
|
OH .0125 .0581 .2430 .0207 .0266 .0162 .0192 .0017 -.0029 -.0001 |
|
Wat .1581 .1474 .2602 .0371 .0431 .0322 .0359 .0098 -.0032 -.0139 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
| |
Physics and Chemistry of Minerals 29 (2002) 331-340 |
|
Non-convergent ordering and displacive phase transition in pigeonite: |
|
in situ HT XRD study |
|
Sample: hga, T = 25 C |
|
_database_code_amcsd 0008637 |
|
9.719 8.947 5.251 90 108.49 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM1 .2506 .6548 .2317 .7668 .006 .007 .006 .007 .000 .003 .000 |
|
FeM1 .2506 .6548 .2317 .2082 .006 .007 .006 .007 .000 .003 .000 |
|
MnM1 .2506 .6548 .2317 .0067 .006 .007 .006 .007 .000 .003 .000 |
|
CaM1 .2506 .6548 .2317 .0183 .006 .007 .006 .007 .000 .003 .000 |
|
MgM2 .2552 .0192 .2294 .1596 .011 .009 .016 .008 .001 .001 .003 |
|
FeM2 .2552 .0192 .2294 .6245 .011 .009 .016 .008 .001 .001 .003 |
|
MnM2 .2552 .0192 .2294 .0206 .011 .009 .016 .008 .001 .001 .003 |
|
CaM2 .2552 .0192 .2294 .1953 .011 .009 .016 .008 .001 .001 .003 |
|
SiA .0426 .3405 .2761 .007 .006 .006 .010 -.001 .004 -.001 |
|
SiB .5493 .8374 .2382 .006 .006 .005 .008 -.001 .003 -.001 |
|
O1A .8673 .3383 .1685 .009 .007 .009 .010 .000 .002 .000 |
|
O1B .3735 .8367 .1342 .009 .007 .009 .011 .000 .003 .001 |
|
O2A .1215 .4994 .3316 .011 .012 .007 .014 -.026 .006 -.001 |
|
O2B .6286 .9881 .3719 .014 .014 .011 .021 -.006 .011 -.008 |
|
O3A .1042 .2605 .5758 .017 .007 .022 .021 .002 .004 .013 |
|
O3B .6050 .7100 .4806 .013 .008 .017 .014 .000 .003 .006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
| |
Physics and Chemistry of Minerals 29 (2002) 331-340 |
|
Non-convergent ordering and displacive phase transition in pigeonite: |
|
in situ HT XRD study |
|
Sample: hgd, T = 650 C |
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_database_code_amcsd 0008638 |
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9.801 9.008 5.296 90 109.01 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 .2502 .6532 .2397 .7529 .018 .019 .019 .016 .000 .003 .000 |
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FeM1 .2502 .6532 .2397 .2222 .018 .019 .019 .016 .000 .003 .000 |
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MnM1 .2502 .6532 .2397 .0072 .018 .019 .019 .016 .000 .003 .000 |
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CaM1 .2502 .6532 .2397 .0179 .018 .019 .019 .016 .000 .003 .000 |
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MgM2 .2528 .0188 .2382 .1699 .029 .029 .034 .020 .003 .002 .002 |
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FeM2 .2528 .0188 .2382 .6148 .029 .029 .034 .020 .003 .002 .002 |
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MnM2 .2528 .0188 .2382 .0202 .029 .029 .034 .020 .003 .002 .002 |
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CaM2 .2528 .0188 .2382 .1951 .029 .029 .034 .020 .003 .002 .002 |
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SiA .0435 .3398 .2703 .015 .014 .016 .016 -.001 .006 -.002 |
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SiB .5470 .8381 .2480 .014 .013 .015 .016 -.002 .005 -.001 |
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O1A .8691 .3381 .1609 .019 .014 .024 .019 .001 .005 .001 |
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O1B .3725 .8384 .1418 .020 .014 .023 .021 .001 .004 -.001 |
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O2A .1222 .4968 .3397 .025 .030 .017 .032 -.008 .014 -.003 |
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O2B .6262 .9905 .3632 .029 .030 .026 .032 -.011 .014 -.010 |
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O3A .1024 .2516 .5583 .035 .018 .052 .032 .003 .006 .023 |
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O3B .6031 .7222 .5045 .031 .021 .043 .029 .004 .009 .019 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
| |
Physics and Chemistry of Minerals 29 (2002) 331-340 |
|
Non-convergent ordering and displacive phase transition in pigeonite: |
|
in situ HT XRD study |
|
Sample: hgg, T = 750 C |
|
_database_code_amcsd 0008639 |
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9.824 9.017 5.309 90 109.19 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 .2502 .6530 .2429 .7267 .020 .021 .022 .018 .000 .005 .000 |
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FeM1 .2502 .6530 .2429 .2474 .020 .021 .022 .018 .000 .005 .000 |
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MnM1 .2502 .6530 .2429 .0080 .020 .021 .022 .018 .000 .005 .000 |
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CaM1 .2502 .6530 .2429 .0179 .020 .021 .022 .018 .000 .005 .000 |
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MgM2 .2520 .0187 .2414 .2008 .033 .033 .038 .022 .005 .002 .001 |
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FeM2 .2520 .0187 .2414 .5845 .033 .033 .038 .022 .005 .002 .001 |
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MnM2 .2520 .0187 .2414 .0194 .033 .033 .038 .022 .005 .002 .001 |
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CaM2 .2520 .0187 .2414 .1953 .033 .033 .038 .022 .005 .002 .001 |
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SiA .0439 .3396 .2681 .017 .016 .018 .017 -.002 .006 -.002 |
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SiB .5461 .8385 .2525 .016 .014 .016 .018 -.002 .005 -.001 |
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O1A .8696 .3380 .1587 .021 .012 .027 .021 .001 .003 -.002 |
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O1B .3724 .8393 .1453 .022 .019 .024 .023 .001 .006 .001 |
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O2A .1223 .4960 .3426 .029 .036 .019 .035 -.008 .016 -.003 |
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O2B .6256 .9913 .3597 .032 .031 .030 .036 -.012 .014 -.012 |
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O3A .1019 .2484 .5519 .038 .021 .058 .034 .006 .008 .026 |
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O3B .6034 .7273 .5162 .036 .022 .051 .036 .003 .010 .022 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
| |
Physics and Chemistry of Minerals 29 (2002) 331-340 |
|
Non-convergent ordering and displacive phase transition in pigeonite: |
|
in situ HT XRD study |
|
Sample: hgi, T = 850 C |
|
_database_code_amcsd 0008640 |
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9.840 9.021 5.3184 90 109.35 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 .2499 .6526 .2463 .7108 .022 .023 .024 .019 .000 .005 -.003 |
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FeM1 .2499 .6526 .2463 .2625 .022 .023 .024 .019 .000 .005 -.003 |
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MnM1 .2499 .6526 .2463 .0085 .022 .023 .024 .019 .000 .005 -.003 |
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CaM1 .2499 .6526 .2463 .0182 .022 .023 .024 .019 .000 .005 -.003 |
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MgM2 .2514 .0187 .2458 .2137 .035 .036 .041 .024 .007 .003 -.002 |
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FeM2 .2514 .0187 .2458 .5722 .035 .036 .041 .024 .007 .003 -.002 |
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MnM2 .2514 .0187 .2458 .0189 .035 .036 .041 .024 .007 .003 -.002 |
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CaM2 .2514 .0187 .2458 .1952 .035 .036 .041 .024 .007 .003 -.002 |
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SiA .0445 .3390 .2659 .018 .017 .019 .019 -.003 .007 -.004 |
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SiB .5451 .8392 .2565 .017 .014 .019 .018 -.002 .005 .001 |
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O1A .8697 .3378 .1564 .023 .016 .029 .023 .001 .005 -.005 |
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O1B .3719 .8400 .1482 .024 .017 .029 .024 .001 .005 .004 |
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O2A .1237 .4959 .3460 .029 .035 .016 .036 -.010 .012 -.005 |
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O2B .6241 .9921 .3559 .036 .038 .036 .039 -.015 .020 -.011 |
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O3A .1019 .2429 .5446 .039 .020 .061 .035 .005 .006 .028 |
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O3B .6029 .7352 .5284 .041 .027 .058 .040 .002 .012 .024 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
| |
Physics and Chemistry of Minerals 29 (2002) 331-340 |
|
Non-convergent ordering and displacive phase transition in pigeonite: |
|
in situ HT XRD study |
|
Sample: hgj, T = 950 C |
|
_database_code_amcsd 0008641 |
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9.849 9.018 5.323 90 109.44 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 0 .9020 1/4 .6900 .024 .026 .025 .020 0 .006 0 |
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FeM1 0 .9020 1/4 .2820 .024 .026 .025 .020 0 .006 0 |
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MnM1 0 .9020 1/4 .0091 .024 .026 .025 .020 0 .006 0 |
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CaM1 0 .9020 1/4 .0189 .024 .026 .025 .020 0 .006 0 |
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MgM2 0 .2688 1/4 .2457 .037 .038 .043 .025 0 .003 0 |
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FeM2 0 .2688 1/4 .5401 .037 .038 .043 .025 0 .003 0 |
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MnM2 0 .2688 1/4 .0182 .037 .038 .043 .025 0 .003 0 |
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CaM2 0 .2688 1/4 .1960 .037 .038 .043 .025 0 .003 0 |
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Si .2948 .0892 .2617 .019 .017 .019 .019 -.002 .006 -.002 |
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O1 .1207 .0889 .1522 .024 .018 .030 .024 .001 .005 -.001 |
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O2 .3735 .2446 .3497 .034 .039 .026 .040 -.013 .017 -.009 |
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O3 .3523 .0100 .0382 .042 .027 .061 .037 -.004 .010 -.027 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferrocolumbite |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample BRA3 at T = 20 C |
|
Locality: San Jose de Safira, Minas Gerais, Brazil |
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_database_code_amcsd 0008836 |
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14.2880 5.7364 5.0562 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe2+A 0 .3289 .25 .747 .0069 .0061 .0071 .0075 0 -.0002 0 |
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Mn2+A 0 .3289 .25 .215 .0069 .0061 .0071 .0075 0 -.0002 0 |
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Ti4+A 0 .3289 .25 .027 .0069 .0061 .0071 .0075 0 -.0002 0 |
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Nb5+B .1617 .1802 .7479 .947 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
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Ta5+B .1617 .1802 .7479 .047 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
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W6+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
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Sc3+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
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Ca2+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
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Sn4+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
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O1 .0971 .1034 .0692 .0075 .0081 .0057 .0088 .0012 -.0003 .0012 |
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O2 .0815 .3827 .5975 .0092 .0085 .0077 .0114 .0013 -.0003 -.0002 |
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O3 .2443 .1238 .4186 .0079 .0084 .0072 .0081 -.0014 -.0003 -.0009 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferrocolumbite |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample BRA3 at T = 300 C |
|
Locality: San Jose de Safira, Minas Gerais, Brazil |
|
_database_code_amcsd 0008837 |
|
14.3191 5.7482 5.0713 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe2+A 0 .3283 .25 .747 .0213 .0195 .0160 .0284 0 -.0005 0 |
|
Mn2+A 0 .3283 .25 .215 .0213 .0195 .0160 .0284 0 -.0005 0 |
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Ti4+A 0 .3283 .25 .027 .0213 .0195 .0160 .0284 0 -.0005 0 |
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Nb5+B .1617 .1797 .7456 .947 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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Ta5+B .1617 .1797 .7456 .047 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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W6+B .1617 .1797 .7456 .0015 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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Sc3+B .1617 .1797 .7456 .0015 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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Ca2+B .1617 .1797 .7456 .0005 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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Sn4+B .1617 .1797 .7456 .0005 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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O1 .0968 .1029 .0675 .0217 .0213 .0194 .0243 -.0031 .0003 .0028 |
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O2 .0819 .3828 .5972 .0226 .0239 .0212 .0228 .0004 .0008 -.0006 |
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O3 .2444 .1248 .4163 .0217 .0242 .0171 .0238 -.0014 .0017 .0018 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferrocolumbite |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample BRA3 at T = 600 C |
|
Locality: San Jose de Safira, Minas Gerais, Brazil |
|
_database_code_amcsd 0008838 |
|
14.3515 5.7610 5.0833 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe2+A 0 .3272 .25 .747 .0299 .0257 .0270 .0369 0 .0004 0 |
|
Mn2+A 0 .3272 .25 .215 .0299 .0257 .0270 .0369 0 .0004 0 |
|
Ti4+A 0 .3272 .25 .027 .0299 .0257 .0270 .0369 0 .0004 0 |
|
Nb5+B .1617 .1799 .7440 .947 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
|
Ta5+B .1617 .1799 .7440 .047 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
|
W6+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
|
Sc3+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
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Ca2+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
|
Sn4+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
|
O1 .0970 .1029 .0631 .0251 .0241 .0191 .0321 .0033 .0019 .0016 |
|
O2 .0816 .3819 .5941 .0314 .0287 .0285 .0371 .0056 -.0043 -.0006 |
|
O3 .2442 .1250 .4167 .0267 .0231 .0233 .0336 -.0027 .0015 .0021 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganocolumbite |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample KRA5 at T = 20 C |
|
Locality: Kragero, Norway |
|
_database_code_amcsd 0008839 |
|
14.3860 5.7478 5.0797 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn2+A 0 .3197 .25 .792 .0069 .0063 .0082 .0061 0 .0003 0 |
|
Fe2+A 0 .3197 .25 .138 .0069 .0063 .0082 .0061 0 .0003 0 |
|
Ti4+A 0 .3197 .25 .077 .0069 .0063 .0082 .0061 0 .0003 0 |
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Nb5+B .1626 .1796 .7391 .897 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
|
Ta5+B .1626 .1796 .7391 .083 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
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Ca2+B .1626 .1796 .7391 .0045 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
|
Sn4+B .1626 .1796 .7391 .0015 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
|
Sc3+B .1626 .1796 .7391 .001 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
|
W6+B .1626 .1796 .7391 .0005 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
|
O1 .0984 .0985 .0576 .0088 .0104 .0073 .0088 .0011 .0015 .0019 |
|
O2 .0827 .3836 .5969 .0101 .0111 .0089 .0103 .0014 .0011 -.0004 |
|
O3 .2437 .1259 .4100 .0080 .0092 .0059 .0091 -.0003 .0016 -.0014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganocolumbite |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample KRA5 at T = 300 C |
|
Locality: Kragero, Norway |
|
_database_code_amcsd 0008840 |
|
14.4159 5.7593 5.0905 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn2+A 0 .3188 .25 .792 .0158 .0134 .0178 .0160 0 .0012 0 |
|
Fe2+A 0 .3188 .25 .138 .0158 .0134 .0178 .0160 0 .0012 0 |
|
Ti4+A 0 .3188 .25 .077 .0158 .0134 .0178 .0160 0 .0012 0 |
|
Nb5+B .1627 .1792 .7375 .897 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
|
Ta5+B .1627 .1792 .7375 .083 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
|
Ca2+B .1627 .1792 .7375 .0045 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
|
Sn4+B .1627 .1792 .7375 .0015 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
|
Sc3+B .1627 .1792 .7375 .001 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
|
W6+B .1627 .1792 .7375 .0005 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
|
O1 .0984 .0990 .0555 .0180 .0167 .0189 .0183 -.0007 -.0007 .0013 |
|
O2 .0829 .3829 .5967 .0205 .0245 .0203 .0168 .0062 0 .0053 |
|
O3 .2449 .1263 .4090 .0173 .0201 .0168 .0151 .0002 .0004 .0053 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganocolumbite |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample KRA5 at T = 600 C |
|
Sample: Kragero, Norway |
|
_database_code_amcsd 0008841 |
|
14.4508 5.7741 5.1025 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn2+A 0 .3171 .25 .792 .0235 .0210 .0260 .0236 0 .0011 0 |
|
Fe2+A 0 .3171 .25 .138 .0235 .0210 .0260 .0236 0 .0011 0 |
|
Ti4+A 0 .3171 .25 .077 .0235 .0210 .0260 .0236 0 .0011 0 |
|
Nb5+B .1628 .1794 .7363 .897 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
|
Ta5+B .1628 .1794 .7363 .083 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
|
Ca2+B .1628 .1794 .7363 .0045 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
|
Sn4+B .1628 .1794 .7363 .0015 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
|
Sc3+B .1628 .1794 .7363 .001 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
|
W6+B .1628 .1794 .7363 .0005 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
|
O1 .0981 .0994 .0536 .0242 .0263 .0211 .0253 .0006 .0030 .0029 |
|
O2 .0829 .3838 .5969 .0271 .0351 .0198 .0264 .0043 -.0033 -.0028 |
|
O3 .2446 .1252 .4077 .0252 .0273 .0249 .0233 -.0019 .0016 -.0016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Columbite-(Fe) |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample BRA3 at T = 20 C |
|
Locality: San Jose de Safira, Minas Gerais, Brazil |
|
_database_code_amcsd 0008842 |
|
14.2880 5.7364 5.0562 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe2+A 0 .3289 .25 .747 .0069 .0061 .0071 .0075 0 -.0002 0 |
|
Mn2+A 0 .3289 .25 .215 .0069 .0061 .0071 .0075 0 -.0002 0 |
|
Ti4+A 0 .3289 .25 .027 .0069 .0061 .0071 .0075 0 -.0002 0 |
|
Nb5+B .1617 .1802 .7479 .947 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
|
Ta5+B .1617 .1802 .7479 .047 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
|
W6+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
|
Sc3+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
|
Ca2+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
|
Sn4+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 |
|
O1 .0971 .1034 .0692 .0075 .0081 .0057 .0088 .0012 -.0003 .0012 |
|
O2 .0815 .3827 .5975 .0092 .0085 .0077 .0114 .0013 -.0003 -.0002 |
|
O3 .2443 .1238 .4186 .0079 .0084 .0072 .0081 -.0014 -.0003 -.0009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Columbite-(Fe) |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample BRA3 at T = 300 C |
|
Locality: San Jose de Safira, Minas Gerais, Brazil |
|
_database_code_amcsd 0008843 |
|
14.3191 5.7482 5.0713 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe2+A 0 .3283 .25 .747 .0213 .0195 .0160 .0284 0 -.0005 0 |
|
Mn2+A 0 .3283 .25 .215 .0213 .0195 .0160 .0284 0 -.0005 0 |
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Ti4+A 0 .3283 .25 .027 .0213 .0195 .0160 .0284 0 -.0005 0 |
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Nb5+B .1617 .1797 .7456 .947 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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Ta5+B .1617 .1797 .7456 .047 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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W6+B .1617 .1797 .7456 .0015 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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Sc3+B .1617 .1797 .7456 .0015 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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Ca2+B .1617 .1797 .7456 .0005 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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Sn4+B .1617 .1797 .7456 .0005 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001 |
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O1 .0968 .1029 .0675 .0217 .0213 .0194 .0243 -.0031 .0003 .0028 |
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O2 .0819 .3828 .5972 .0226 .0239 .0212 .0228 .0004 .0008 -.0006 |
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O3 .2444 .1248 .4163 .0217 .0242 .0171 .0238 -.0014 .0017 .0018 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Columbite-(Fe) |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample BRA3 at T = 600 C |
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Locality: San Jose de Safira, Minas Gerais, Brazil |
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_database_code_amcsd 0008844 |
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14.3515 5.7610 5.0833 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe2+A 0 .3272 .25 .747 .0299 .0257 .0270 .0369 0 .0004 0 |
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Mn2+A 0 .3272 .25 .215 .0299 .0257 .0270 .0369 0 .0004 0 |
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Ti4+A 0 .3272 .25 .027 .0299 .0257 .0270 .0369 0 .0004 0 |
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Nb5+B .1617 .1799 .7440 .947 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
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Ta5+B .1617 .1799 .7440 .047 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
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W6+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
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Sc3+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
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Ca2+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
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Sn4+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 |
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O1 .0970 .1029 .0631 .0251 .0241 .0191 .0321 .0033 .0019 .0016 |
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O2 .0816 .3819 .5941 .0314 .0287 .0285 .0371 .0056 -.0043 -.0006 |
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O3 .2442 .1250 .4167 .0267 .0231 .0233 .0336 -.0027 .0015 .0021 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Columbite-(Mn) |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample KRA5 at T = 20 C |
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Locality: Kragero, Norway |
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_database_code_amcsd 0008845 |
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14.3860 5.7478 5.0797 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn2+A 0 .3197 .25 .792 .0069 .0063 .0082 .0061 0 .0003 0 |
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Fe2+A 0 .3197 .25 .138 .0069 .0063 .0082 .0061 0 .0003 0 |
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Ti4+A 0 .3197 .25 .077 .0069 .0063 .0082 .0061 0 .0003 0 |
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Nb5+B .1626 .1796 .7391 .897 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
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Ta5+B .1626 .1796 .7391 .083 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
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Ca2+B .1626 .1796 .7391 .0045 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
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Sn4+B .1626 .1796 .7391 .0015 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
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Sc3+B .1626 .1796 .7391 .001 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
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W6+B .1626 .1796 .7391 .0005 .0072 .0082 .0062 .0071 .0002 .0005 -.0001 |
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O1 .0984 .0985 .0576 .0088 .0104 .0073 .0088 .0011 .0015 .0019 |
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O2 .0827 .3836 .5969 .0101 .0111 .0089 .0103 .0014 .0011 -.0004 |
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O3 .2437 .1259 .4100 .0080 .0092 .0059 .0091 -.0003 .0016 -.0014 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Columbite-(Mn) |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample KRA5 at T = 300 C |
|
Locality: Kragero, Norway |
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_database_code_amcsd 0008846 |
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14.4159 5.7593 5.0905 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn2+A 0 .3188 .25 .792 .0158 .0134 .0178 .0160 0 .0012 0 |
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Fe2+A 0 .3188 .25 .138 .0158 .0134 .0178 .0160 0 .0012 0 |
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Ti4+A 0 .3188 .25 .077 .0158 .0134 .0178 .0160 0 .0012 0 |
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Nb5+B .1627 .1792 .7375 .897 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
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Ta5+B .1627 .1792 .7375 .083 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
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Ca2+B .1627 .1792 .7375 .0045 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
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Sn4+B .1627 .1792 .7375 .0015 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
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Sc3+B .1627 .1792 .7375 .001 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
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W6+B .1627 .1792 .7375 .0005 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002 |
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O1 .0984 .0990 .0555 .0180 .0167 .0189 .0183 -.0007 -.0007 .0013 |
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O2 .0829 .3829 .5967 .0205 .0245 .0203 .0168 .0062 0 .0053 |
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O3 .2449 .1263 .4090 .0173 .0201 .0168 .0151 .0002 .0004 .0053 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Columbite-(Mn) |
|
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C |
| |
Physics and Chemistry of Minerals 30 (2003) 590-598 |
|
High-temperature X-ray investigation of natural columbites |
|
Note: sample KRA5 at T = 600 C |
|
Sample: Kragero, Norway |
|
_database_code_amcsd 0008847 |
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14.4508 5.7741 5.1025 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn2+A 0 .3171 .25 .792 .0235 .0210 .0260 .0236 0 .0011 0 |
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Fe2+A 0 .3171 .25 .138 .0235 .0210 .0260 .0236 0 .0011 0 |
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Ti4+A 0 .3171 .25 .077 .0235 .0210 .0260 .0236 0 .0011 0 |
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Nb5+B .1628 .1794 .7363 .897 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
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Ta5+B .1628 .1794 .7363 .083 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
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Ca2+B .1628 .1794 .7363 .0045 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
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Sn4+B .1628 .1794 .7363 .0015 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
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Sc3+B .1628 .1794 .7363 .001 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
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W6+B .1628 .1794 .7363 .0005 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003 |
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O1 .0981 .0994 .0536 .0242 .0263 .0211 .0253 .0006 .0030 .0029 |
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O2 .0829 .3838 .5969 .0271 .0351 .0198 .0264 .0043 -.0033 -.0028 |
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O3 .2446 .1252 .4077 .0252 .0273 .0249 .0233 -.0019 .0016 -.0016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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