American Mineralogist Crystal Structure Database

93 matching records for this search.

Whewellite
Download hom/whewellite.pdf
Tazzoli V, Domeneghetti M C
Download am/vol65/AM65_327.pdf
American Mineralogist 65 (1980) 327-334
The crystal structures of whewellite and weddellite: re-examination and
comparison
_database_code_amcsd 0000776
6.290 14.583 10.116 90 109.46 90 P2_1/c
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
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
O5   .3614 .1418 .0690     2.20 .00672 .00553 .00262  .00067 .00137  .00094
O6   .7245 .1227 .1974     1.16 .00601 .00219 .00259  .00025 .00214  .00014
O7   .2438 .1229 .2957     1.31 .00490 .00268 .00293  .00002 .00190 -.00014
O8   .6073 .1068 .4264     2.24 .00661 .00577 .00254  .00087 .00160  .00053
H11  .4870 .3720 .0510 .85 5.00
H21  .5100 .3640 .4260 .86 5.00
H22  .5300 .3670 .3200 .86 5.00
OW1  .3932 .3459 .1022 .85 1.81 .01124 .00317 .00358  .00052 .00298  .00099
OW2  .5913 .3829 .3908 .86 4.48 .00834 .01332 .00280 -.00019 .00196 -.00091
OW10  .388  .396  .099 .15  1.8
OW20  .584  .409  .392 .14  4.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Weddellite
Download hom/weddellite.pdf
Tazzoli V, Domeneghetti M C
Download am/vol65/AM65_327.pdf
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
atom      x     y     z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
C     .4464 .2415 .1053     1.23 .00182 .00263 .00440  .00018  .00006 -.00019
Ca    .1993 .3011     0     0.97 .00175 .00159 .00395  .00011       0       0
O1    .3564 .2458 .1829     1.46 .00184 .00367 .00477  .00041  .00048  .00020
O2    .2355 .4634 .1799     2.79 .00981 .00187 .00564 -.00035 -.00133  .00067
OW1   .1490 .1145     0     2.75 .00780 .00270 .00843 -.00059       0       0
OW2   .0192 .3841     0     2.97 .00378 .00633 .01221  .00159       0       0
Wat3      0     0  .683 .58 7.20 .01062 .01062 .03972       0       0       0
Wat30     0     0  .240 .17 7.00
H1     .166  .071  .105        5
H2     .350  .018  .115        5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Enstatite
Download hom/enstatite.pdf
Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M
Download am/vol80/AM80_923.pdf
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.13, natural
_database_code_amcsd 0001755
18.316 8.907 5.218 90 90 90 Pbca
atom      x      y       z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sia  .27149 .34060  .05180      .00044 .00135 .00294 -.00013 -.00001 -.00008
Sib  .47403 .33660  .79535      .00047 .00154 .00219  .00014  .00009  .00001
Mg1  .37540 .65459  .87426 .896 .00056 .00177 .00263  .00000 -.00015  .00015
Fe1  .37540 .65459  .87426 .104 .00056 .00177 .00263  .00000 -.00015  .00015
Fe2  .37797 .48308  .36794 .703 .00062 .00245 .00259 -.00012 -.00048 -.00008
Mg2  .37797 .48308  .36794 .254 .00062 .00245 .00259 -.00012 -.00048 -.00008
Ca2  .37797 .48308  .36794 .043 .00062 .00245 .00259 -.00012 -.00048 -.00008
O1a  .18355 .33731  .04361      .00046 .00239 .00322 -.00010  .00033  .00016
O1b  .56266 .33632  .79552      .00042 .00255 .00364  .00011 -.00036  .00031
O2a  .31117 .50053  .05332      .00069 .00192 .00466 -.00020 -.00058  .00004
O2b  .43402 .48555  .69789      .00070 .00249 .00455  .00032 -.00019  .00076
O3a  .30233 .23184 -.17642      .00060 .00273 .00635  .00001  .00036 -.00239
O3b  .44739 .20280  .59356      .00062 .00280 .00649 -.00003 -.00014 -.00234
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Enstatite
Download hom/enstatite.pdf
Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M
Download am/vol80/AM80_923.pdf
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
_database_code_amcsd 0001756
18.320 8.917 5.219 90 90 90 Pbca
atom      x      y       z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sia  .27178 .34044  .05067      .00035 .00100 .00544 -.00020 -.00014  .00006
Sib  .47383 .33640  .79521      .00044 .00132 .00450  .00021  .00028  .00020
Fe1  .37558 .65406  .87255 .232 .00044 .00145 .00435 -.00003  .00008  .00008
Mg1  .37558 .65406  .87255 .768 .00044 .00145 .00435 -.00003  .00008  .00008
Fe2  .37776 .48319  .36681 .570 .00057 .00271 .00439 -.00010 -.00033 -.00006
Mg2  .37776 .48319  .36681 .387 .00057 .00271 .00439 -.00010 -.00033 -.00006
Ca2  .37776 .48319  .36681 .043 .00057 .00271 .00439 -.00010 -.00033 -.00006
O1a  .18414 .33775  .03730      .00031 .00196 .00475 -.00008 -.00009  .00090
O1b  .56235 .33755  .79219      .00021 .00280 .00449  .00011 -.00009  .00101
O2a  .31098 .49976  .04844      .00038 .00262 .00658 -.00036 -.00045  .00053
O2b  .43401 .48420  .69768      .00054 .00341 .00609  .00020 -.00002  .00020
O3a  .30222 .23043 -.17242      .00060 .00300 .00629 -.00038  .00063 -.00173
O3b  .44755 .20209  .59672      .00067 .00262 .00584  .00005 -.00002 -.00273
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Orthopyroxene
 
Domeneghetti M C, Tazzoli V, Ballaran T B, Molin G M
Download am/vol81/AM81_842.pdf
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
_database_code_amcsd 0001805
18.316 8.907 5.218 90 90 90 Pbca
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiA  .22851 .65945  .5520 .993  .0066  .0063  .0034 -.0006 -.0004  .0003
AlA  .22851 .65945  .5520 .014  .0066  .0063  .0034 -.0006 -.0004  .0003
SiB  .47401 .33650  .7950 .993  .0064  .0058  .0031  .0002 -.0004 -.0001
AlB  .47401 .33650  .7950 .014  .0064  .0058  .0031  .0002 -.0004 -.0001
O1A   .3161  .8380  .0440       .0077  .0086  .0043 -.0002  .0003  .0001
O1B   .5625  .3370  .7957       .0057  .0088  .0045 -.0001 -.0018  .0011
O2A   .3111  .5003  .0539       .0098  .0081  .0067 -.0016 -.0028  .0004
O2B   .4341  .4852  .6976       .0112  .0087  .0071  .0017  .0004  .0017
O3A   .1976  .7686  .3243       .0096  .0124  .0061  .0016 -.0003  .0035
O3B   .4473  .2022  .5935       .0105  .0113  .0067 -.0006 -.0006 -.0030
Mg1  .37537 .65467  .8743 .897  .0084  .0071  .0035 -.0001 -.0006  .0003
Fe1  .37537 .65467  .8743 .091  .0084  .0071  .0035 -.0001 -.0006  .0003
Mn1  .37537 .65467  .8743 .003  .0084  .0071  .0035 -.0001 -.0006  .0003
Cr1  .37537 .65467  .8743 .004  .0084  .0071  .0035 -.0001 -.0006  .0003
Ti1  .37537 .65467  .8743 .005  .0084  .0071  .0035 -.0001 -.0006  .0003
Mg2  .37799 .48326 .36791 .237  .0103  .0096  .0042 -.0012 -.0022  .0000
Fe2  .37799 .48326 .36791 .704  .0103  .0096  .0042 -.0012 -.0022  .0000
Mn2  .37799 .48326 .36791 .023  .0103  .0096  .0042 -.0012 -.0022  .0000
Ca2  .37799 .48326 .36791 .036  .0103  .0096  .0042 -.0012 -.0022  .0000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Orthopyroxene
 
Domeneghetti M C, Tazzoli V, Ballaran T B, Molin G M
Download am/vol81/AM81_842.pdf
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
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiA  .22838 .65955  .5514 .993  .0051  .0056  .0041 -.0007 -.0008  .0001
AlA  .22838 .65955  .5514 .014  .0051  .0056  .0041 -.0007 -.0008  .0001
SiB  .47386 .33637  .7946 .993  .0050  .0049  .0043  .0006 -.0001  .0004
AlB  .47386 .33637  .7946 .014  .0050  .0049  .0043  .0006 -.0001  .0004
O1A  .31602  .8387  .0412       .0064  .0078  .0063  .0001  .0001 -.0001
O1B  .56216  .3379  .7951       .0047  .0087  .0068 -.0001 -.0007  .0003
O2A  .31132  .4996  .0517       .0092  .0076  .0074 -.0017 -.0012  .0020
O2B  .43368  .4840  .6951       .0084  .0090  .0077  .0011 -.0007  .0014
O3A  .19772  .7698  .3246       .0077  .0114  .0074 -.0004 -.0012  .0035
O3B  .44762  .2012  .5940       .0084  .0102  .0075 -.0009 -.0010 -.0030
Mg1  .37563 .65440  .8726 .764  .0069  .0061  .0052 -.0002 -.0009  .0002
Fe1  .37563 .65440  .8726 .220  .0069  .0061  .0052 -.0002 -.0009  .0002
Mn1  .37563 .65440  .8726 .007  .0069  .0061  .0052 -.0002 -.0009  .0002
Cr1  .37563 .65440  .8726 .004  .0069  .0061  .0052 -.0002 -.0009  .0002
Ti1  .37563 .65440  .8726 .005  .0069  .0061  .0052 -.0002 -.0009  .0002
Mg2  .37780 .48378 .36644 .364  .0091  .0096  .0068 -.0011 -.0025 -.0002
Fe2  .37780 .48378 .36644 .581  .0091  .0096  .0068 -.0011 -.0025 -.0002
Mn2  .37780 .48378 .36644 .019  .0091  .0096  .0068 -.0011 -.0025 -.0002
Ca2  .37780 .48378 .36644 .036  .0091  .0096  .0068 -.0011 -.0025 -.0002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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
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        .33743       0    .25 .992 .00625 .00522 .00607 .00745       0       0 -.00008
FeM        .33743       0    .25 .008 .00625 .00522 .00607 .00745       0       0 -.00008
AlT11         .25     .25 .25015 .991 .00553 .00656 .00502 .00499  .00136       0       0
FeT11         .25     .25 .25015 .009 .00553 .00656 .00502 .00499  .00136       0       0
SiT16           0      .5    .25      .00448 .00371 .00561 .00412       0       0       0
SiT21      .19266  .07779      0      .00405 .00428 .00351 .00436  .00028       0       0
SiT23      .13516 -.23754      0      .00414 .00377 .00421 .00444 -.00059       0       0
AlT26      .05091  .30795      0      .00440 .00358 .00488 .00472  .00051       0       0
O11        .24743 -.10271 .35880      .00722 .00886 .00655 .00625 -.00073  .00279 -.00107
O16        .06242 -.41629 .34900      .00711 .00573 .00903 .00657 -.00088  .00020 -.00312
O13       -.17328 -.31056 .35852      .00731 .00789 .00773 .00630  .00127 -.00202 -.00221
O26        .04309 -.24797      0      .01146 .00437 .01486 .01515 -.00198       0       0
O21        .12243  .18464      0      .01089 .00839 .00916 .01514  .00508       0       0
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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
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        .33736       0    .25 .917 .00639 .00543 .00592 .00782       0       0 -.00016
FeM        .33736       0    .25 .083 .00639 .00543 .00592 .00782       0       0 -.00016
AlT11         .25     .25 .25020 .985 .00585 .00694 .00534 .00529  .00145       0       0
FeT11         .25     .25 .25020 .015 .00585 .00694 .00534 .00529  .00145       0       0
SiT16           0      .5    .25 .992 .00492 .00428 .00596 .00450       0       0       0
FeT16           0      .5    .25 .008 .00492 .00428 .00596 .00450       0       0       0
SiT21      .19258  .07786      0      .00421 .00451 .00355 .00457  .00025       0       0
SiT23      .13513 -.23727      0      .00435 .00395 .00443 .00467 -.00055       0       0
AlT26      .05091  .30800      0      .00453 .00388 .00489 .00481  .00046       0       0
O11        .24727 -.10284 .35879      .00783 .00980 .00692 .00676 -.00046  .00322 -.00096
O16        .06223 -.41618 .34898      .00748 .00634 .00913 .00696 -.00072  .00027 -.00314
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
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
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 (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
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
Locality: synthetic
_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 (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
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
Locality: synthetic
_database_code_amcsd 0002800
9.651 8.846 5.202 90 108.34 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  .86657 .33948 .17890     .00662 .00494 .00690 .00789  .00005 .00181  .00066
O1B  .37428 .83968 .12721     .00668 .00494 .00843 .00658  .00005 .00169  .00046
O2A  .12121 .50101 .32229     .00800 .00980 .00567 .00908 -.00218 .00377 -.00030
O2B  .63154 .98539 .38134     .01184 .01156 .00931 .01722 -.00530 .00822 -.00598
O3A  .10505 .27466 .60141     .01017 .00700 .01225 .01143  .00084 .00314  .00524
O3B  .60473 .70086 .46442     .01001 .00686 .01411 .00909  .00095 .00255  .00505
SiA  .04243 .34128 .28683     .00555 .00529 .00501 .00701 -.00049 .00286 -.00051
SiB  .55079 .83814 .23243     .00561 .00533 .00528 .00662 -.00079 .00245 -.00065
Mg1  .25088 .65386 .22278     .00694 .00693 .00705 .00690 -.00003 .00227  .00070
Mg2  .25548 .01774 .22147 .85 .01290 .01046 .01878 .00911  .00380 .00257  .00467
Ca2  .25548 .01774 .22147 .15 .01290 .01046 .01878 .00911  .00380 .00257  .00467
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
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
Locality: synthetic
_database_code_amcsd 0002801
9.651 8.846 5.202 90 108.38 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  .86654 .33948 .17873     .00580 .00462 .00691 .00576 -.00039 .00148  .00063
O1B  .37433 .83963 .12772     .00613 .00485 .00782 .00577  .00024 .00173 -.00011
O2A  .12099 .50111 .32199     .00696 .00807 .00544 .00744 -.00177 .00256  .00011
O2B  .63185 .98529 .38213     .01077 .01096 .00879 .01507 -.00394 .00770 -.00468
O3A  .10514 .27488 .60177     .00895 .00587 .01133 .00964  .00057 .00245  .00488
O3B  .60463 .70100 .46426     .00940 .00656 .01388 .00809  .00099 .00278  .00498
SiA  .04237 .34128 .28684     .00476 .00442 .00493 .00526 -.00039 .00200 -.00029
SiB  .55077 .83808 .23258     .00481 .00489 .00454 .00537 -.00092 .00216 -.00110
Mg1  .25087 .65381 .22287     .00589 .00619 .00638 .00485  .00042 .00140  .00081
Mg2  .25554 .01760 .22156 .85 .01245 .01036 .01842 .00807  .00389 .00217  .00436
Ca2  .25554 .01760 .22156 .15 .01245 .01036 .01842 .00807  .00389 .00217  .00436
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
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
Locality: synthetic
_database_code_amcsd 0002802
9.702 8.903 5.228 90 108.58 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  .86787 .33936 .17583     .01344 .01116 .01636 .01215  .00051 .00277  .00092
O1B  .37361 .84055 .12950     .01439 .01158 .01779 .01337  .00056 .00339 -.00113
O2A  .12166 .49977 .32593     .01669 .01970 .01221 .01864 -.00565 .00678 -.00106
O2B  .63063 .98561 .37802     .02159 .02271 .01862 .02613 -.00892 .01157 -.00709
O3A  .10420 .27096 .59479     .01976 .01449 .02546 .01936 -.00050 .00543  .00943
O3B  .60331 .70554 .47150     .01895 .01617 .02381 .01785  .00308 .00678  .00876
SiA  .04254 .34090 .28445     .01075 .01050 .01105 .01145 -.00124 .00454 -.00106
SiB  .54985 .83826 .23615     .01066 .01050 .01029 .01172 -.00119 .00429 -.00072
Mg1  .25060 .65285 .22641     .01490 .01596 .01404 .01463  .00035 .00480  .00053
Mg2  .25495 .01784 .22514 .85 .02354 .02404 .02834 .01646  .00507 .00394  .00404
Ca2  .25495 .01784 .22514 .15 .02354 .02404 .02834 .01646  .00507 .00394  .00404
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
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
Locality: synthetic
_database_code_amcsd 0002803
9.713 8.913 5.234 90 108.64 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  .86807 .33954 .17543     .01717 .01259 .02205 .01565 -.00213 .00282 -.00038
O1B  .37321 .84096 .13015     .01491 .01344 .01662 .01427  .00024 .00386 -.00023
O2A  .12149 .49930 .32662     .02036 .02458 .01618 .02138 -.00751 .00883 -.00333
O2B  .63021 .98629 .37674     .02326 .02393 .01912 .02850 -.00742 .01085 -.00684
O3A  .10371 .27021 .59168     .02110 .01794 .02438 .02033 -.00114 .00521  .00996
O3B  .60314 .70639 .47337     .01973 .01803 .02328 .01792  .00399 .00582  .00860
SiA  .04250 .34052 .28366     .01172 .01182 .01240 .01091 -.00126 .00359 -.00098
SiB  .54963 .83857 .23700     .01133 .01181 .01040 .01178 -.00170 .00377 -.00118
Mg1  .25025 .65276 .22705     .01589 .01807 .01629 .01330  .00098 .00501  .00100
Mg2  .25478 .01793 .22547 .85 .02602 .02634 .03240 .01676  .00475 .00326  .00277
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 (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
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
Locality: synthetic
_database_code_amcsd 0002804
9.739 8.936 5.249 90 108.80 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  .86828 .33961 .17249     .01942 .01595 .02406 .01797  .00094 .00505  .00149
O1B  .37346 .84123 .13248     .01912 .01476 .02284 .01853  .00146 .00368 -.00057
O2A  .12164 .49858 .32875     .02349 .02631 .01887 .02612 -.00863 .00961 -.00341
O2B  .62975 .98637 .37552     .02678 .03137 .02224 .02992 -.00943 .01431 -.00841
O3A  .10313 .26764 .58800     .02651 .02048 .03486 .02415 -.00056 .00716  .01199
O3B  .60222 .70925 .47905     .02480 .02226 .03067 .02337  .00350 .00998  .01248
SiA  .04294 .34079 .28246     .01375 .01284 .01520 .01384 -.00107 .00518 -.00056
SiB  .54865 .83882 .23917     .01385 .01469 .01415 .01394 -.00138 .00632 -.00078
Mg1  .25051 .65217 .22924     .02020 .02213 .02058 .01778  .00014 .00625  .00025
Mg2  .25431 .01745 .22774 .85 .03230 .03421 .03803 .02157  .00622 .00470  .00261
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 (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
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
Locality: synthetic
_database_code_amcsd 0002805
9.752 8.949 5.255 90 108.84 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  .86862 .33890 .17197     .02075 .01655 .02735 .01874  .00345 .00625  .00100
O1B  .37311 .84175 .13310     .02136 .01986 .02434 .02009  .00202 .00674  .00018
O2A  .12226 .49844 .33087     .02613 .02956 .01942 .03102 -.00833 .01199 -.00410
O2B  .62858 .98692 .37344     .03082 .03185 .02848 .03628 -.01373 .01675 -.00999
O3A  .10324 .26674 .58704     .02842 .02092 .03935 .02482  .00030 .00715  .01704
O3B  .60230 .71138 .48337     .02867 .02675 .03591 .02514  .00777 .01085  .01352
SiA  .04317 .34038 .28182     .01524 .01501 .01670 .01515 -.00186 .00645 -.00167
SiB  .54817 .83878 .24048     .01576 .01547 .01633 .01619 -.00176 .00609 -.00152
Mg1  .25048 .65186 .23090     .02196 .02398 .02230 .01975 -.00015 .00728  .00060
Mg2  .25426 .01793 .22864 .85 .03481 .03785 .04023 .02357  .00768 .00606  .00239
Ca2  .25426 .01793 .22864 .15 .03481 .03785 .04023 .02357  .00768 .00606  .00239
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
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
Locality: Parana, Brazil
_database_code_amcsd 0003147
9.716 8.946 5.252 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)
O1A  -.1326 .3381 .1688       .008   .005   .008   .010   .000   .002   .000
O1b   .3736 .8364 .1344       .008   .006   .008   .010   .001   .002   .000
O2A   .1218 .4994 .3324       .010   .011   .007   .013  -.002   .005  -.001
O2B   .6288 .9879 .3726       .014   .014   .010   .020  -.007   .009  -.007
O3A   .1043 .2391 .0765       .018   .007   .024   .022  -.001   .004   .000
O3B   .6050 .7097 .4808       .013   .007   .019   .013   .001   .003   .008
SiA   .0426 .3405 .2761       .006   .005   .005   .010  -.001   .003  -.001
SiB   .5494 .8374 .2386       .006   .005   .005   .007  -.001   .003  -.001
MgM1  .2504 .6547 .2319 .7595 .006   .006   .006   .007   .000   .002   .000
FeM1  .2504 .6547 .2319 .2155 .006   .006   .006   .007   .000   .002   .000
MnM1  .2504 .6547 .2319 .0070 .006   .006   .006   .007   .000   .002   .000
CaM2  .2552 .0190 .2294 .1950 .011   .008   .015   .007   .001   .000   .002
MgM2  .2552 .0190 .2294 .1624 .011   .008   .015   .007   .001   .000   .002
FeM2  .2552 .0190 .2294 .6222 .011   .008   .015   .007   .001   .000   .002
MnM2  .2552 .0190 .2294 .0204 .011   .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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
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
Locality: Parana, Brazil
_database_code_amcsd 0003148
9.708 8.941 5.244 90 108.52 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  -.1327 .3384 .1699       .008   .005   .009   .009   .000   .002   .000
O1b   .3737 .8368 .1339       .008   .006   .010   .009   .000   .002   .000
O2A   .1217 .4995 .3318       .010   .011   .007   .012  -.003   .005  -.001
O2B   .6293 .9875 .3740       .014   .014   .010   .020  -.006   .010  -.007
O3A   .1043 .2375 .0795       .016   .008   .021   .019  -.001   .004      0
O3B   .6051 .7086 .4795       .013   .007   .019   .012   .001   .003   .008
SiA   .0426 .3404 .2775       .006   .005   .006   .009  -.001   .003  -.001
SiB   .5496 .8374 .2380       .006   .005   .006   .007  -.001   .002  -.001
MgM1  .2504 .6546 .2311 .7283 .006   .006   .006   .007   .000   .002   .000
FeM1  .2504 .6546 .2311 .2458 .006   .006   .006   .007   .000   .002   .000
MnM1  .2504 .6546 .2311 .0079 .006   .006   .006   .007   .000   .002   .000
CaM2  .2553 .0188 .2286 .1953 .011   .008   .015   .007   .001   .000   .002
MgM2  .2553 .0188 .2286 .1974 .011   .008   .015   .007   .001   .000   .002
FeM2  .2553 .0188 .2286 .5879 .011   .008   .015   .007   .001   .000   .002
MnM2  .2553 .0188 .2286 .0194 .011   .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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
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
Locality: Parana, Brazil
_database_code_amcsd 0003149
9.707 8.941 5.247 90 108.48 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  -.1326 .3385 .1699       .008   .006   .010   .009   .000   .002   .000
O1b   .3738 .8369 .1343       .009   .006   .010   .010   .000   .002   .000
O2A   .1217 .4996 .3316       .011   .012   .007   .013  -.003   .005  -.001
O2B   .6293 .9874 .3737       .014   .014   .011   .020  -.006   .010  -.007
O3A   .1045 .2372 .0799       .017   .009   .022   .018  -.001   .004      0
O3B   .6050 .7086 .4791       .014   .008   .020   .013   .001   .003   .008
SiA   .0427 .3404 .2776       .007   .006   .006   .010  -.001   .003  -.001
SiB   .5496 .8374 .2382       .007   .006   .006   .008  -.001   .003  -.001
MgM1  .2504 .6546 .2310 .7159 .007   .007   .006   .008   .009   .000   .002
FeM1  .2504 .6546 .2310 .2544 .007   .007   .006   .008   .009   .000   .002
MnM1  .2504 .6546 .2310 .0082 .007   .007   .006   .008   .009   .000   .002
CaM2  .2554 .0188 .2286 .1953 .011   .009   .016   .008   .002   .001   .002
MgM2  .2554 .0188 .2286 .2049 .011   .009   .016   .008   .002   .001   .002
FeM2  .2554 .0188 .2286 .5807 .011   .009   .016   .008   .002   .001   .002
MnM2  .2554 .0188 .2286 .0191 .011   .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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
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
Locality: Parana, Brazil
_database_code_amcsd 0003150
9.707 8.943 5.246 90 108.47 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  -.1326 .3386 .1705       .008   .005   .009   .008   .000   .002   .000
O1b   .3738 .8369 .1341       .008   .006   .009   .009   .001   .002   .000
O2A   .1217 .4995 .3315       .010   .012   .007   .012  -.003   .005  -.001
O2B   .6294 .9874 .3741       .013   .014   .011   .019  -.006   .010  -.007
O3A   .1041 .2370 .0802       .016   .008   .021   .018  -.001   .004      0
O3B   .6049 .7084 .4791       .013   .007   .019   .012   .001   .003   .007
SiA   .0426 .3404 .2780       .006   .005   .006   .008  -.001   .003  -.001
SiB   .5497 .8373 .2380       .006   .006   .006   .007  -.001   .002  -.001
MgM1  .2505 .6546 .2307 .7108 .006   .007   .006   .006   .000   .002   .000
FeM1  .2505 .6546 .2307 .2626 .006   .007   .006   .006   .000   .002   .000
MnM1  .2505 .6546 .2307 .0085 .006   .007   .006   .006   .000   .002   .000
CaM2  .2554 .0187 .2283 .1935 .011   .009   .015   .007   .002   .001   .002
MgM2  .2554 .0187 .2283 .2188 .011   .009   .015   .007   .002   .001   .002
FeM2  .2554 .0187 .2283 .5668 .011   .009   .015   .007   .002   .001   .002
MnM2  .2554 .0187 .2283 .0189 .011   .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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
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
Locality: Parana, Brazil
_database_code_amcsd 0003151
9.711 8.944 5.249 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)
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
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
MgM1  .2504 .6545 .2304 .6900 .007   .007   .006   .006   .000   .002   .000
FeM1  .2504 .6545 .2304 .2784 .007   .007   .006   .006   .000   .002   .000
MnM1  .2504 .6545 .2304 .0087 .007   .007   .006   .006   .000   .002   .000
CaM2  .2554 .0191 .2282 .1787 .011   .010   .016   .007   .002   .001   .003
MgM2  .2554 .0191 .2282 .2310 .011   .010   .016   .007   .002   .001   .003
FeM2  .2554 .0191 .2282 .5720 .011   .010   .016   .007   .002   .001   .003
MnM2  .2554 .0191 .2282 .0183 .011   .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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
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
Locality: Parana, Brazil
_database_code_amcsd 0003152
9.718 8.951 5.250 90 108.50 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  -.1326 .3384 .1704       .007   .006   .009   .007  -.001   .002   .000
O1b   .3734 .8374 .1339       .007   .006   .007   .007   .002   .002   .001
O2A   .1220 .4997 .3315       .009   .013   .006   .011  -.005   .006   .001
O2B   .6281 .9868 .3717       .014   .013   .010   .020  -.006   .008  -.004
O3A   .1041 .2370 .0798       .012   .006   .014   .014   .000   .001  -.008
O3B   .6043 .7098 .4800       .011   .006   .017   .010   .001   .002   .005
SiA   .0424 .3407 .2780       .006   .004   .005   .008  -.001   .002  -.002
SiB   .5498 .8370 .2377       .005   .005   .004   .007   .000   .002   .000
MgM1  .2505 .6546 .2303 .7010 .006   .006   .005   .006  -.001   .001  -.001
FeM1  .2505 .6546 .2303 .2736 .006   .006   .005   .006  -.001   .001  -.001
MnM1  .2505 .6546 .2303 .0086 .006   .006   .005   .006  -.001   .001  -.001
CaM2  .2554 .0194 .2281 .1803 .011   .009   .015   .007   .002  -.001   .002
MgM2  .2554 .0194 .2281 .2406 .011   .009   .015   .007   .002  -.001   .002
FeM2  .2554 .0194 .2281 .5607 .011   .009   .015   .007   .002  -.001   .002
MnM2  .2554 .0194 .2281 .0184 .011   .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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
American Mineralogist 90 (2005) 1816-1823
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
Locality: Parana, Brazil
Sample: N.35, untreated
_database_code_amcsd 0003962
9.7071 8.9435 5.2481 90 108.483 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  .255192 .017045 .228309 .1437         .010112 .011311 .007101  .000456 .000647  .001611
FeM2A  .255192 .017045 .228309 .6362         .010112 .011311 .007101  .000456 .000647  .001611
CaM2A  .255192 .017045 .228309 .0784         .010112 .011311 .007101  .000456 .000647  .001611
MnM2A  .255192 .017045 .228309 .0259         .010112 .011311 .007101  .000456 .000647  .001611
NaM2A  .255192 .017045 .228309 .0030         .010112 .011311 .007101  .000456 .000647  .001611
CaM2B  .254036 .049506 .249442 .1128 .011423
MgM1   .250490 .654727 .232121 .7764         .008018 .006763 .007727  .000121 .002449  .000458
Fe2+M1 .250490 .654727 .232121 .1960         .008018 .006763 .007727  .000121 .002449  .000458
Fe3+M1 .250490 .654727 .232121 .0147         .008018 .006763 .007727  .000121 .002449  .000458
TiM1   .250490 .654727 .232121 .0101         .008018 .006763 .007727  .000121 .002449  .000458
MnM1   .250490 .654727 .232121 .0027         .008018 .006763 .007727  .000121 .002449  .000458
SiA    .042638 .340507 .275819               .006146 .006198 .009999 -.000581 .003367 -.000616
SiB    .549269 .837496 .238663 .9840         .006599 .006249 .007780 -.001068 .002828 -.000944
AlB    .549269 .837496 .238663 .0160         .006599 .006249 .007780 -.001068 .002828 -.000944
O1A    .867633 .338142 .168299               .006561 .009023 .009713  .000532 .002613  .000062
O2A    .121624 .499486 .332181               .012521 .008224 .013628 -.003275 .005907 -.001811
O3A    .104270 .261080 .576279               .009289 .023267 .021057  .000787 .004399  .014429
O1B    .373603 .836609 .134765               .007080 .009612 .009962  .000376 .002903 -.000022
O2B    .628732 .987868 .372233               .014739 .011594 .021224 -.006085 .010302 -.007512
O3B    .604937 .709499 .481649               .008494 .021313 .012807  .000717 .003991  .007685
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 = 10 min
_database_code_amcsd 0003963
9.7093 8.9417 5.2479 90 108.507 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  .255175 .016824 .228003 .1519         .009804 .010982 .006652  .000330 .000634  .001771
FeM2A  .255175 .016824 .228003 .6279         .009804 .010982 .006652  .000330 .000634  .001771
CaM2A  .255175 .016824 .228003 .0685         .009804 .010982 .006652  .000330 .000634  .001771
MnM2A  .255175 .016824 .228003 .0256         .009804 .010982 .006652  .000330 .000634  .001771
NaM2A  .255175 .016824 .228003 .0031         .009804 .010982 .006652  .000330 .000634  .001771
CaM2B  .254366 .048966 .251399 .1230 .011947
MgM1   .250449 .654666 .232018 .7705         .007892 .006868 .007510  .000123 .002515  .000322
Fe2+M1 .250449 .654666 .232018 .2019         .007892 .006868 .007510  .000123 .002515  .000322
Fe3+M1 .250449 .654666 .232018 .0146         .007892 .006868 .007510  .000123 .002515  .000322
TiM1   .250449 .654666 .232018 .0102         .007892 .006868 .007510  .000123 .002515  .000322
MnM1   .250449 .654666 .232018 .0028         .007892 .006868 .007510  .000123 .002515  .000322
SiA    .042724 .340569 .276099               .005954 .006368 .010041 -.000484 .003389 -.000737
SiB    .549302 .837437 .238780 .9840         .006294 .006299 .007849 -.001011 .002728 -.000871
AlB    .549302 .837437 .238780 .0160         .006294 .006299 .007849 -.001011 .002728 -.000871
O1A    .867648 .338212 .168308               .006543 .009127 .009852  .000145 .002670 -.000147
O2A    .121580 .499459 .332112               .012883 .008605 .013443 -.003279 .006090 -.001640
O3A    .104147 .260814 .575613               .008351 .023596 .021535  .000707 .004262  .015074
O1B    .373643 .836670 .134859               .007149 .009144 .010226  .000213 .003312 -.000106
O2B    .628662 .987816 .372068               .014679 .011356 .021234 -.005953 .010112 -.007620
O3B    .604880 .709521 .481878               .007746 .019677 .013302  .000738 .003369  .007742
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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
_database_code_amcsd 0003964
9.7057 8.9396 5.2453 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  .255195 .016378 .227770 .1539         .009633 .010408 .006359  .000099 .000355  .001719
FeM2A  .255195 .016378 .227770 .6259         .009633 .010408 .006359  .000099 .000355  .001719
CaM2A  .255195 .016378 .227770 .0417         .009633 .010408 .006359  .000099 .000355  .001719
MnM2A  .255195 .016378 .227770 .0259         .009633 .010408 .006359  .000099 .000355  .001719
NaM2A  .255195 .016378 .227770 .0030         .009633 .010408 .006359  .000099 .000355  .001719
CaM2B  .254515 .046766 .248789 .1496 .012800
MgM1   .250434 .654621 .232036 .7650         .007862 .007063 .007474  .000191 .002392  .000402
Fe2+M1 .250434 .654621 .232036 .2072         .007862 .007063 .007474  .000191 .002392  .000402
Fe3+M1 .250434 .654621 .232036 .0148         .007862 .007063 .007474  .000191 .002392  .000402
TiM1   .250434 .654621 .232036 .0101         .007862 .007063 .007474  .000191 .002392  .000402
MnM1   .250434 .654621 .232036 .0030         .007862 .007063 .007474  .000191 .002392  .000402
SiA    .042741 .340553 .275997               .005922 .006463 .010119 -.000549 .003336 -.000667
SiB    .549321 .837429 .238665 .9840         .006232 .006442 .007641 -.001078 .002677 -.000971
AlB    .549321 .837429 .238665 .0160         .006232 .006442 .007641 -.001078 .002677 -.000971
O1A    .867567 .338158 .168337               .006511 .009185 .009683  .000298 .002699  .000057
O2A    .121531 .499429 .332093               .012442 .008799 .013176 -.003649 .006069 -.001310
O3A    .104077 .261054 .576241               .008430 .023232 .020936  .000398 .004143  .013858
O1B    .373598 .836571 .134869               .006819 .009626 .009984  .000187 .003004 -.000047
O2B    .628675 .987776 .371983               .014459 .011626 .021699 -.006207 .010426 -.007520
O3B    .604868 .709349 .481560               .007418 .019820 .013563  .000328 .003382  .007992
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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
_database_code_amcsd 0003965
9.7118 8.9442 5.2484 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  .255178 .016731 .227992 .1551         .009961 .010658 .006542  .000424 .000539  .001749
FeM2A  .255178 .016731 .227992 .6248         .009961 .010658 .006542  .000424 .000539  .001749
CaM2A  .255178 .016731 .227992 .0647         .009961 .010658 .006542  .000424 .000539  .001749
MnM2A  .255178 .016731 .227992 .0261         .009961 .010658 .006542  .000424 .000539  .001749
NaM2A  .255178 .016731 .227992 .0029         .009961 .010658 .006542  .000424 .000539  .001749
CaM2B  .254518 .048988 .249693 .1265 .011822
MgM1   .250455 .654629 .231946 .7613         .007900 .006743 .007402  .000044 .002435  .000374
Fe2+M1 .250455 .654629 .231946 .2107         .007900 .006743 .007402  .000044 .002435  .000374
Fe3+M1 .250455 .654629 .231946 .0149         .007900 .006743 .007402  .000044 .002435  .000374
TiM1   .250455 .654629 .231946 .0100         .007900 .006743 .007402  .000044 .002435  .000374
MnM1   .250455 .654629 .231946 .0030         .007900 .006743 .007402  .000044 .002435  .000374
SiA    .042790 .340603 .276138               .005990 .006121 .010041 -.000501 .003395 -.000624
SiB    .549378 .837484 .238604 .9840         .006307 .006105 .007522 -.001082 .002733 -.000976
AlB    .549378 .837484 .238604 .0160         .006307 .006105 .007522 -.001082 .002733 -.000976
O1A    .867607 .338152 .168397               .006136 .009434 .009516  .000266 .002695 -.000189
O2A    .121617 .499487 .331951               .012329 .008561 .013115 -.003371 .006020 -.001490
O3A    .104127 .261162 .575990               .008378 .021988 .020827 -.000004 .003555  .013592
O1B    .373598 .836558 .134631               .006870 .009857 .009276  .000853 .003161 -.000025
O2B    .628802 .987730 .372164               .013914 .012181 .020690 -.005909 .009799 -.007734
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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
_database_code_amcsd 0003966
9.7114 8.9473 5.2513 90 108.475 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  .255237 .016458 .227752 .1628         .009832 .010263 .006467  .000228 .000669  .001978
FeM2A  .255237 .016458 .227752 .6172         .009832 .010263 .006467  .000228 .000669  .001978
CaM2A  .255237 .016458 .227752 .0504         .009832 .010263 .006467  .000228 .000669  .001978
MnM2A  .255237 .016458 .227752 .0256         .009832 .010263 .006467  .000228 .000669  .001978
NaM2A  .255237 .016458 .227752 .0030         .009832 .010263 .006467  .000228 .000669  .001978
CaM2B  .253810 .047303 .248865 .1409 .011389
MgM1   .250406 .654637 .231905 .7565         .007893 .006832 .007470  .000218 .002548  .000478
Fe2+M1 .250406 .654637 .231905 .2155         .007893 .006832 .007470  .000218 .002548  .000478
Fe3+M1 .250406 .654637 .231905 .0148         .007893 .006832 .007470  .000218 .002548  .000478
TiM1   .250406 .654637 .231905 .0101         .007893 .006832 .007470  .000218 .002548  .000478
MnM1   .250406 .654637 .231905 .0031         .007893 .006832 .007470  .000218 .002548  .000478
SiA    .042738 .340550 .276215               .005950 .006317 .009821 -.000614 .003354 -.000574
SiB    .549291 .837473 .238617 .9840         .006355 .006151 .007352 -.000987 .002710 -.000938
AlB    .549291 .837473 .238617 .0160         .006355 .006151 .007352 -.000987 .002710 -.000938
O1A    .867653 .338136 .168662               .006510 .009159 .009649  .000262 .002632 -.000044
O2A    .121559 .499573 .332035               .013078 .007921 .014102 -.003259 .006603 -.001456
O3A    .104157 .261208 .576601               .007971 .023237 .020596  .000275 .003929  .014404
O1B    .373534 .836612 .134596               .007187 .009343 .009992  .000460 .002896  .000019
O2B    .628802 .987827 .372569               .014486 .011598 .020944 -.005803 .010136 -.007057
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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
9.7087 8.9405 5.2468 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  .255218 .016478 .227696 .1723         .009708 .010333 .006363  .000283 .000529  .001827
FeM2A  .255218 .016478 .227696 .6079         .009708 .010333 .006363  .000283 .000529  .001827
CaM2A  .255218 .016478 .227696 .0520         .009708 .010333 .006363  .000283 .000529  .001827
MnM2A  .255218 .016478 .227696 .0255         .009708 .010333 .006363  .000283 .000529  .001827
NaM2A  .255218 .016478 .227696 .0030         .009708 .010333 .006363  .000283 .000529  .001827
CaM2B  .254562 .047268 .248565 .1393 .011757
MgM1   .250428 .654596 .231772 .7477         .007858 .006802 .007508  .000155 .002528  .000453
Fe2+M1 .250428 .654596 .231772 .2243         .007858 .006802 .007508  .000155 .002528  .000453
Fe3+M1 .250428 .654596 .231772 .0147         .007858 .006802 .007508  .000155 .002528  .000453
TiM1   .250428 .654596 .231772 .0101         .007858 .006802 .007508  .000155 .002528  .000453
MnM1   .250428 .654596 .231772 .0032         .007858 .006802 .007508  .000155 .002528  .000453
SiA    .042762 .340538 .276342               .005816 .006265 .009845 -.000562 .003324 -.000636
SiB    .549342 .837438 .238697 .9840         .006371 .006137 .007362 -.001128 .002787 -.001044
AlB    .549342 .837438 .238697 .0160         .006371 .006137 .007362 -.001128 .002787 -.001044
O1A    .867667 .338264 .168694               .006401 .009375 .009084  .000371 .002511 -.000162
O2A    .121428 .499568 .331890               .012573 .008123 .013352 -.003330 .005940 -.001799
O3A    .104213 .261526 .576927               .008314 .022677 .020132  .000318 .003881  .013539
O1B    .373637 .836677 .134863               .006829 .009743 .009696  .000180 .003122 -.000181
O2B    .628726 .987748 .372520               .014526 .011821 .021272 -.006052 .010539 -.007734
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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
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  .255249 .016692 .227866 .1747         .009799 .011062 .006727  .000315 .000542  .001828
FeM2A  .255249 .016692 .227866 .6061         .009799 .011062 .006727  .000315 .000542  .001828
CaM2A  .255249 .016692 .227866 .0649         .009799 .011062 .006727  .000315 .000542  .001828
MnM2A  .255249 .016692 .227866 .0255         .009799 .011062 .006727  .000315 .000542  .001828
NaM2A  .255249 .016692 .227866 .0030         .009799 .011062 .006727  .000315 .000542  .001828
CaM2B  .254329 .048960 .250055 .1258 .011687
MgM1   .250422 .654596 .231771 .7422         .007884 .007029 .007589  .000109 .002520  .000387
Fe2+M1 .250422 .654596 .231771 .2294         .007884 .007029 .007589  .000109 .002520  .000387
Fe3+M1 .250422 .654596 .231771 .0151         .007884 .007029 .007589  .000109 .002520  .000387
TiM1   .250422 .654596 .231771 .0100         .007884 .007029 .007589  .000109 .002520  .000387
MnM1   .250422 .654596 .231771 .0033         .007884 .007029 .007589  .000109 .002520  .000387
SiA    .042746 .340562 .276437               .005960 .006456 .009956 -.000531 .003367 -.000616
SiB    .549357 .837462 .238645 .9840         .006297 .006404 .007609 -.001043 .002785 -.000919
AlB    .549357 .837462 .238645 .0160         .006297 .006404 .007609 -.001043 .002785 -.000919
O1A    .867667 .338266 .168693               .006293 .009690 .009530  .000169 .002598 -.000121
O2A    .121643 .499462 .332212               .012349 .008383 .013377 -.003436 .005939 -.001524
O3A    .104209 .261339 .576959               .008991 .022984 .020842  .000175 .004324  .014267
O1B    .373565 .836737 .134946               .006686 .010016 .009752  .000308 .002934 -.000155
O2B    .628868 .987549 .372735               .014488 .012129 .020540 -.006129 .009888 -.007374
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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)
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
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
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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)
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
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
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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
CaM2A  .255357 .016119 .227250 .0212         .009651 .009621 .005785  .000100 .000487  .002122
MnM2A  .255357 .016119 .227250 .0254         .009651 .009621 .005785  .000100 .000487  .002122
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Domeneghetti M C, Zema M, Tazzoli V
Download am/vol90/AM90_1816.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chiavennite
Download hom/chiavennite.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
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
_database_code_amcsd 0008638
9.801 9.008 5.296 90 109.01 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 .2502 .6532 .2397 .7529 .018   .019   .019   .016   .000   .003   .000
FeM1 .2502 .6532 .2397 .2222 .018   .019   .019   .016   .000   .003   .000
MnM1 .2502 .6532 .2397 .0072 .018   .019   .019   .016   .000   .003   .000
CaM1 .2502 .6532 .2397 .0179 .018   .019   .019   .016   .000   .003   .000
MgM2 .2528 .0188 .2382 .1699 .029   .029   .034   .020   .003   .002   .002
FeM2 .2528 .0188 .2382 .6148 .029   .029   .034   .020   .003   .002   .002
MnM2 .2528 .0188 .2382 .0202 .029   .029   .034   .020   .003   .002   .002
CaM2 .2528 .0188 .2382 .1951 .029   .029   .034   .020   .003   .002   .002
SiA  .0435 .3398 .2703       .015   .014   .016   .016  -.001   .006  -.002
SiB  .5470 .8381 .2480       .014   .013   .015   .016  -.002   .005  -.001
O1A  .8691 .3381 .1609       .019   .014   .024   .019   .001   .005   .001
O1B  .3725 .8384 .1418       .020   .014   .023   .021   .001   .004  -.001
O2A  .1222 .4968 .3397       .025   .030   .017   .032  -.008   .014  -.003
O2B  .6262 .9905 .3632       .029   .030   .026   .032  -.011   .014  -.010
O3A  .1024 .2516 .5583       .035   .018   .052   .032   .003   .006   .023
O3B  .6031 .7222 .5045       .031   .021   .043   .029   .004   .009   .019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
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
9.824 9.017 5.309 90 109.19 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 .2502 .6530 .2429 .7267 .020   .021   .022   .018   .000   .005   .000
FeM1 .2502 .6530 .2429 .2474 .020   .021   .022   .018   .000   .005   .000
MnM1 .2502 .6530 .2429 .0080 .020   .021   .022   .018   .000   .005   .000
CaM1 .2502 .6530 .2429 .0179 .020   .021   .022   .018   .000   .005   .000
MgM2 .2520 .0187 .2414 .2008 .033   .033   .038   .022   .005   .002   .001
FeM2 .2520 .0187 .2414 .5845 .033   .033   .038   .022   .005   .002   .001
MnM2 .2520 .0187 .2414 .0194 .033   .033   .038   .022   .005   .002   .001
CaM2 .2520 .0187 .2414 .1953 .033   .033   .038   .022   .005   .002   .001
SiA  .0439 .3396 .2681       .017   .016   .018   .017  -.002   .006  -.002
SiB  .5461 .8385 .2525       .016   .014   .016   .018  -.002   .005  -.001
O1A  .8696 .3380 .1587       .021   .012   .027   .021   .001   .003  -.002
O1B  .3724 .8393 .1453       .022   .019   .024   .023   .001   .006   .001
O2A  .1223 .4960 .3426       .029   .036   .019   .035  -.008   .016  -.003
O2B  .6256 .9913 .3597       .032   .031   .030   .036  -.012   .014  -.012
O3A  .1019 .2484 .5519       .038   .021   .058   .034   .006   .008   .026
O3B  .6034 .7273 .5162       .036   .022   .051   .036   .003   .010   .022
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
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
9.840 9.021 5.3184 90 109.35 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 .2499 .6526 .2463 .7108 .022   .023   .024   .019   .000   .005  -.003
FeM1 .2499 .6526 .2463 .2625 .022   .023   .024   .019   .000   .005  -.003
MnM1 .2499 .6526 .2463 .0085 .022   .023   .024   .019   .000   .005  -.003
CaM1 .2499 .6526 .2463 .0182 .022   .023   .024   .019   .000   .005  -.003
MgM2 .2514 .0187 .2458 .2137 .035   .036   .041   .024   .007   .003  -.002
FeM2 .2514 .0187 .2458 .5722 .035   .036   .041   .024   .007   .003  -.002
MnM2 .2514 .0187 .2458 .0189 .035   .036   .041   .024   .007   .003  -.002
CaM2 .2514 .0187 .2458 .1952 .035   .036   .041   .024   .007   .003  -.002
SiA  .0445 .3390 .2659       .018   .017   .019   .019  -.003   .007  -.004
SiB  .5451 .8392 .2565       .017   .014   .019   .018  -.002   .005   .001
O1A  .8697 .3378 .1564       .023   .016   .029   .023   .001   .005  -.005
O1B  .3719 .8400 .1482       .024   .017   .029   .024   .001   .005   .004
O2A  .1237 .4959 .3460       .029   .035   .016   .036  -.010   .012  -.005
O2B  .6241 .9921 .3559       .036   .038   .036   .039  -.015   .020  -.011
O3A  .1019 .2429 .5446       .039   .020   .061   .035   .005   .006   .028
O3B  .6029 .7352 .5284       .041   .027   .058   .040   .002   .012   .024
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
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
9.849 9.018 5.323 90 109.44 90 C2/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     0 .9020   1/4 .6900 .024   .026   .025   .020      0   .006      0
FeM1     0 .9020   1/4 .2820 .024   .026   .025   .020      0   .006      0
MnM1     0 .9020   1/4 .0091 .024   .026   .025   .020      0   .006      0
CaM1     0 .9020   1/4 .0189 .024   .026   .025   .020      0   .006      0
MgM2     0 .2688   1/4 .2457 .037   .038   .043   .025      0   .003      0
FeM2     0 .2688   1/4 .5401 .037   .038   .043   .025      0   .003      0
MnM2     0 .2688   1/4 .0182 .037   .038   .043   .025      0   .003      0
CaM2     0 .2688   1/4 .1960 .037   .038   .043   .025      0   .003      0
Si   .2948 .0892 .2617       .019   .017   .019   .019  -.002   .006  -.002
O1   .1207 .0889 .1522       .024   .018   .030   .024   .001   .005  -.001
O2   .3735 .2446 .3497       .034   .039   .026   .040  -.013   .017  -.009
O3   .3523 .0100 .0382       .042   .027   .061   .037  -.004   .010  -.027
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferrocolumbite
Download hom/ferrocolumbite.pdf
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 0008836
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 (permalink)
 
Ferrocolumbite
Download hom/ferrocolumbite.pdf
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)
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
Ti4+A     0 .3283   .25  .027 .0213  .0195  .0160  .0284      0 -.0005      0
Nb5+B .1617 .1797 .7456  .947 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Ta5+B .1617 .1797 .7456  .047 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
W6+B  .1617 .1797 .7456 .0015 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Sc3+B .1617 .1797 .7456 .0015 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Ca2+B .1617 .1797 .7456 .0005 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Sn4+B .1617 .1797 .7456 .0005 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
O1    .0968 .1029 .0675       .0217  .0213  .0194  .0243 -.0031  .0003  .0028
O2    .0819 .3828 .5972       .0226  .0239  .0212  .0228  .0004  .0008 -.0006
O3    .2444 .1248 .4163       .0217  .0242  .0171  .0238 -.0014  .0017  .0018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferrocolumbite
Download hom/ferrocolumbite.pdf
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)
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
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Manganocolumbite
Download hom/manganocolumbite.pdf
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)
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
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
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 (permalink)
 
Manganocolumbite
Download hom/manganocolumbite.pdf
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 (permalink)
 
Manganocolumbite
Download hom/manganocolumbite.pdf
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 (permalink)
 
Columbite-(Fe)
Download hom/columbitefe.pdf
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 (permalink)
 
Columbite-(Fe)
Download hom/columbitefe.pdf
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
Ti4+A     0 .3283   .25  .027 .0213  .0195  .0160  .0284      0 -.0005      0
Nb5+B .1617 .1797 .7456  .947 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Ta5+B .1617 .1797 .7456  .047 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
W6+B  .1617 .1797 .7456 .0015 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Sc3+B .1617 .1797 .7456 .0015 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Ca2+B .1617 .1797 .7456 .0005 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Sn4+B .1617 .1797 .7456 .0005 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
O1    .0968 .1029 .0675       .0217  .0213  .0194  .0243 -.0031  .0003  .0028
O2    .0819 .3828 .5972       .0226  .0239  .0212  .0228  .0004  .0008 -.0006
O3    .2444 .1248 .4163       .0217  .0242  .0171  .0238 -.0014  .0017  .0018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Columbite-(Fe)
Download hom/columbitefe.pdf
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 0008844
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)
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
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Columbite-(Mn)
Download hom/columbitemn.pdf
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 0008845
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)
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
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
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 (permalink)
 
Columbite-(Mn)
Download hom/columbitemn.pdf
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 0008846
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 (permalink)
 
Columbite-(Mn)
Download hom/columbitemn.pdf
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
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 (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 93
View in amc, download in amc

Return to AMCSD Home Page