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Jadeite |
 |
Prewitt C T, Burnham C W |
 |
American Mineralogist 51 (1966) 956-975 |
|
The crystal structure of jadeite, NaAlSi2O6 |
|
_database_code_amcsd 0000147 |
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9.418 8.562 5.219 90 107.58 90 C2/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na 0 .3009 1/4 .0035 .0026 .0074 0 -.0002 0 |
|
Al 0 .0940 3/4 .0013 .0015 .0035 0 .0005 0 |
|
Si .2906 .0934 .2277 .0011 .0017 .0036 .0000 .0006 -.0001 |
|
O1 .1090 .0763 .1275 .0004 .0020 .0032 -.0004 .0000 -.0007 |
|
O2 .3608 .2630 .2929 .0010 .0020 .0047 -.0004 .0000 .0002 |
|
O3 .3533 .0070 .0058 .0013 .0022 .0041 -.0003 .0009 .0000 |
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Ferrosilite |
|
Burnham C W, Ohashi Y, Hafner S S, Virgo D |
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American Mineralogist 56 (1971) 850-876 |
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Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene |
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_database_code_amcsd 0000247 |
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18.405 9.0338 5.2390 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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SiA .27194 .33944 .04905 .00022 .00158 .00366 -.00008 .00007 -.00012 |
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SiB .47343 .33490 .79113 .00026 .00159 .00364 .00008 0 .00014 |
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Fe1 .37566 .65424 .87451 .75 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
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Mg1 .37566 .65424 .87451 .25 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
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Fe2 .37795 .48456 .36682 .96 .00060 .00288 .00646 -.00012 -.00046 .00013 |
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Ca2 .37795 .48456 .36682 .04 .00060 .00288 .00646 -.00012 -.00046 .00013 |
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O1a .18427 .33889 .03899 .00022 .00194 .00567 0 .00010 -.00025 |
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O2a .31130 .49661 .05755 .00047 .00157 .00513 -.00016 -.00010 -.00015 |
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O3a .30229 .23575 -.18414 .00032 .00301 .00455 -.00004 .00004 -.00106 |
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O1b .56154 .33620 .78991 .00024 .00227 .00662 0 -.00001 .00023 |
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O2b .43335 .48202 .69459 .00053 .00203 .00612 .00025 .00041 .00051 |
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O3b .44735 .20274 .58737 .00037 .00259 .00569 -.00014 .00017 -.00113 |
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Fluorophlogopite |
| |
Hazen R M, Burnham C W |
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American Mineralogist 58 (1973) 889-900 |
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The crystal structures of one-layer phlogopite and annite |
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_database_code_amcsd 0000385 |
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5.3078 9.1901 10.1547 90 100.08 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .5752 .1668 .2254 .262 .0041 .0011 .0022 -.0001 .0004 -.0001 |
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Si .5752 .1668 .2254 .738 .0041 .0011 .0022 -.0001 .0004 -.0001 |
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Mg1 0 .5 .5 .0037 .0009 .0028 0 .0008 0 |
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Mg2 0 .8315 .5 .0037 .0009 .0029 0 .0007 0 |
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K 0 0 0 .770 .0205 .0066 .0071 0 .0013 0 |
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Na 0 0 0 .160 .0205 .0066 .0071 0 .0013 0 |
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Ba 0 0 0 .050 .0205 .0066 .0071 0 .0013 0 |
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O1 .8248 .2307 .1677 .0104 .0038 .0038 -.0019 .0013 -.0002 |
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O2 .5180 0 .1675 .0149 .0026 .0028 0 -.0001 0 |
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O3 .6297 .1664 .3902 .0047 .0011 .0026 .0000 .0008 -.0002 |
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OH .1330 0 .4008 .350 .0061 .0017 .0029 0 .0008 0 |
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F .1330 0 .4008 .650 .0061 .0017 .0029 0 .0008 0 |
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Annite |
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Hazen R M, Burnham C W |
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American Mineralogist 58 (1973) 889-900 |
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The crystal structures of one-layer phlogopite and annite |
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_database_code_amcsd 0000386 |
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5.3860 9.3241 10.2683 90 100.63 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .5703 .1665 .2246 .298 .0075 .0024 .0036 -.0001 .0016 -.0001 |
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Si .5703 .1665 .2246 .702 .0075 .0024 .0036 -.0001 .0016 -.0001 |
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Fe1 0 .5 .5 .81 .0070 .0018 .0040 0 .0022 0 |
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Ti1 0 .5 .5 .07 .0070 .0018 .0040 0 .0022 0 |
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Mg1 0 .5 .5 .04 .0070 .0018 .0040 0 .0022 0 |
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Mn1 0 .5 .5 .01 .0070 .0018 .0040 0 .0022 0 |
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Al1 0 .5 .5 .03 .0070 .0018 .0040 0 .0022 0 |
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Fe2 0 .8332 .5 .81 .0061 .0028 .0039 0 .0014 0 |
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Ti2 0 .8332 .5 .07 .0061 .0028 .0039 0 .0014 0 |
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Mg2 0 .8332 .5 .04 .0061 .0028 .0039 0 .0014 0 |
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Mn2 0 .8332 .5 .01 .0061 .0028 .0039 0 .0014 0 |
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Al2 0 .8332 .5 .03 .0061 .0028 .0039 0 .0014 0 |
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K 0 0 0 .88 .0277 .0100 .0116 0 .0014 0 |
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Na 0 0 0 .07 .0277 .0100 .0166 0 .0014 0 |
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Ca 0 0 0 .03 .0277 .0100 .0166 0 .0014 0 |
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O1 .8031 .2457 .1670 .0140 .0070 .0050 -.0028 .0025 -.0001 |
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O2 .5427 0 .1684 .0213 .0040 .0055 0 .0022 0 |
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O3 .6291 .1674 .3894 .0109 .0035 .0040 -.0004 .0017 -.0001 |
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O4 .1239 0 .3931 .175 .0138 .0037 .0040 0 .0017 0 |
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OH .1239 0 .3931 .690 .0138 .0037 .0040 0 .0017 0 |
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F .1239 0 .3931 .110 .0138 .0037 .0040 0 .0017 0 |
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Cl .1239 0 .3931 .025 .0138 .0037 .0040 0 .0017 0 |
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|
Gillespite |
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Hazen R M, Burnham C W |
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American Mineralogist 59 (1974) 1166-1176 |
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The crystal structures of gillespite I and II: A structure determination at |
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high pressure |
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P = 1 atm |
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_database_code_amcsd 0000429 |
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7.5164 7.5164 16.0768 90 90 90 P4/ncc |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba 0 0 0 .00435 .00435 .00062 0 0 0 |
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Fe 0 .5 .0920 .00199 .00199 .00126 0 0 0 |
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Si .2691 .1854 .1548 .00198 .00180 .00085 -.0000 .0002 -.0002 |
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O1 .2242 .2242 .25 .0116 .0116 .00169 -.0037 .0020 -.0020 |
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O2 .4723 .2475 .1377 .0026 .0093 .00141 -.0006 -.0002 .0011 |
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O3 .1415 .2754 .0900 .0056 .0019 .00306 .0020 -.0021 -.0007 |
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|
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|
| |
|
Gillespite |
|
Hazen R M, Burnham C W |
|
American Mineralogist 59 (1974) 1166-1176 |
|
The crystal structures of gillespite I and II: A structure determination at |
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high pressure |
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P = 26 kbar, known as gillespite II |
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_database_code_amcsd 0000430 |
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7.349 7.515 7.894 90 90 90 P2_12_12 |
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atom x y z Biso |
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Ba 0 0 .000 3.0 |
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Fe 0 .5 .185 1.6 |
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SiA .680 .215 .330 1.5 |
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SiB .270 .190 .290 1.4 |
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O1 .255 .265 .48 5.0 |
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O2A .480 .215 .245 2.9 |
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O2B .245 .978 .28 13.3 |
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O3A .230 .635 .21 12.1 |
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O3B .145 .280 .155 1.9 |
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| |
|
Hedenbergite |
|
Ohashi Y, Burnham C W, Finger L W |
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American Mineralogist 60 (1975) 423-434 |
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The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
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Fs65Wo35 |
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_database_code_amcsd 0000457 |
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9.812 9.049 5.233 90 105.3 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .2901 .0910 .23700 .41 .0014 .0012 .0038 -.0002 .0011 -.0005 |
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Fe 0 .9064 .25 .44 .0017 .0010 .0038 0 .0008 0 |
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Fe1 0 .2908 .25 .3 1.31 .0025 .0074 .0050 0 .0001 0 |
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Ca1 0 .2908 .25 .7 1.31 .0025 .0074 .0050 0 .0001 0 |
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O1 .1207 .0895 .15260 .63 .0021 .0018 .0056 .0003 .0011 .0002 |
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O2 .3658 .2448 .33170 1.10 .0039 .0023 .0134 -.0013 .0039 -.0022 |
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O3 .3505 .0222 -.0055 .70 .0018 .0030 .0049 0 .0008 -.0014 |
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|
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| |
|
Hedenbergite |
|
Ohashi Y, Burnham C W, Finger L W |
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American Mineralogist 60 (1975) 423-434 |
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The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
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Fs75Wo25 |
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_database_code_amcsd 0000458 |
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9.781 9.072 5.246 90 106.6 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 .9047 .25 .80 .0018 .0019 .0103 -.0001 .0019 0 |
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Fe2 0 .2747 .25 .5 1.85 .0019 .0024 .0091 0 .0012 0 |
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Ca 0 .2747 .25 .5 1.85 .0026 .0100 .0105 0 -.0007 0 |
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Si .2936 .0898 .24340 .75 .0026 .0100 .0105 0 -.0007 0 |
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O1 .1207 .0893 .15170 .82 .0020 .0023 .0113 .0001 .0024 -.0025 |
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O2 .3706 .2426 .34960 1.75 .0036 .0024 .0355 -.0006 .0070 -.0012 |
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O3 .3520 .0255 -.0043 1.26 .0021 .0058 .0111 .0007 .0013 -.0029 |
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|
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| |
|
Clinoferrosilite |
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Ohashi Y, Burnham C W, Finger L W |
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American Mineralogist 60 (1975) 423-434 |
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The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
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Fs80Wo20 |
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_database_code_amcsd 0000459 |
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9.760 9.057 5.234 90 106.3 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 .9050 .25 .64 .00100 .00154 .01059 0 .00111 0 |
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Fe2 0 .2751 .25 .6 1.78 .00326 .01051 .01000 0 .00388 0 |
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Ca 0 .2751 .25 .4 1.78 .00326 .01051 .01000 0 .00388 0 |
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Si .2937 .0891 .2440 .65 .00065 .00166 .01088 .00021 .00049 -.00090 |
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O1 .1214 .0893 .1535 .78 .00056 .00237 .01167 -.00035 .00172 -.00023 |
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O2 .3712 .2417 .3480 1.53 .00180 .00251 .02750 .00086 -.00033 -.00482 |
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O3 .3517 .0261 -.002 1.14 .00123 .00561 .01095 -.00126 .00084 -.00317 |
|
|
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|
| |
|
Clinoferrosilite |
|
Ohashi Y, Burnham C W, Finger L W |
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American Mineralogist 60 (1975) 423-434 |
|
The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
|
Fs85Wo15 |
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_database_code_amcsd 0000460 |
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9.779 9.088 5.258 90 107.39 90 P2_1/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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SiA .0461 .3387 .2569 .0012 .0028 .0083 .0003 .0009 -.0008 |
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SiB .5455 .8373 .2436 .0021 .0014 .0078 -.0007 .0020 -.0007 |
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Fe1 .2512 .6543 .2454 .0018 .0022 .0067 .0002 .0012 .0002 |
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Fe2 .2534 .0182 .2443 .7 .0020 .0082 .0079 -.0001 -.0001 .0007 |
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Ca2 .2534 .0182 .2443 .3 .0020 .0082 .0079 -.0001 -.0001 .0007 |
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O1a .8729 .3407 .1601 .0013 .0021 .0048 .0000 -.0008 .0002 |
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O2a .1182 .4948 .3423 .0055 .0041 .0232 .0001 .0076 -.0005 |
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O3a .1002 .2299 .5172 .0006 .0106 .0193 .0012 .0001 .0105 |
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O1b .3719 .8360 .1499 .0023 .0035 .0103 .0000 .0026 -.0010 |
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O2b .6280 .9873 .3656 .0017 .0017 .0192 -.0019 .0027 -.0035 |
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O3b .6038 .7192 .4983 .0026 .0056 .0098 -.0007 .0041 .0015 |
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|
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|
| |
|
Gillespite |
|
Hazen R M, Burnham C W |
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American Mineralogist 60 (1975) 937-938 |
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The Crystal Structure of Gillespite II at 26 Kilobars: Correction and Addendum |
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_database_code_amcsd 0000472 |
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7.349 7.515 7.894 90 90 90 P2_12_12 |
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atom x y z Biso |
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Ba 0 0 -.017 1.64 |
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Fe 0 .500 .159 1.6 |
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SiA .689 .224 .322 1.0 |
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SiB .261 .188 .297 1.4 |
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O1 .208 .267 .479 .6 |
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O2A .474 .221 .255 1.4 |
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O2B .236 .978 .285 4.2 |
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O3A .232 .625 .207 .4 |
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O3B .143 .282 .148 .4 |
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|
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|
| |
|
Geocronite |
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Birnie R W, Burnham C W |
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American Mineralogist 61 (1976) 963-970 |
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The crystal structure and extent of solid solution of geocronite |
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_database_code_amcsd 0000530 |
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8.963 31.93 8.500 90 118.02 90 P2_1/m |
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atom x y z Biso |
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Pb1 .445 .0566 .350 1.3 |
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Pb2 .441 .0486 .844 1.4 |
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Pb3 .903 .0438 .322 1.3 |
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Sb4 .922 .0465 .836 .8 |
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Pb5 .263 .1414 .001 1.5 |
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As6 .271 .1505 .511 .3 |
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Pb7 .788 .1487 .018 1.6 |
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Pb8 .790 .1532 .516 1.2 |
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Pb9 .120 .25 .175 2.2 |
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Pb10 .121 .25 .691 1.5 |
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Sb11 .613 .2214 .180 .5 |
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Pb12 .547 .25 .638 3.0 |
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S1 .287 .002 .000 1.5 |
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S2 .307 .002 .547 3.0 |
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S3 .050 .085 .113 .2 |
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S4 .063 .085 .686 1.9 |
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S5 .656 .100 .196 .0 |
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S6 .654 .090 .704 .3 |
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S7 .409 .178 .370 1.2 |
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S8 .405 .180 .784 .7 |
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S9 .025 .183 .387 -.4 |
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S10 .986 .202 .882 2.9 |
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S11 .370 .261 .051 -1.5 |
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S12 .749 .25 .021 1.7 |
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S13 .746 .25 .455 -.2 |
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|
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|
| |
|
Jimthompsonite |
|
Veblen D R, Burnham C W |
|
American Mineralogist 63 (1978) 1053-1073 |
|
New biopyriboles from Chester, Vermont: II. The crystal chemistry of |
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jimthompsonite, clinojimthompsonite, and chesterite, and the amphibole-mica |
|
reaction |
|
_database_code_amcsd 0000687 |
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18.626 27.230 5.297 90 90 90 Pbca |
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atom x y z occ Biso |
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Mg1 .12565 .27883 .89663 .940 .43 |
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Fe1 .12565 .27883 .89663 .060 .43 |
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Mg2 .12535 .33533 .39566 .844 .58 |
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Fe2 .12535 .33533 .39566 .156 .58 |
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Mg3 .12506 .39257 .89577 .922 .42 |
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Fe3 .12506 .39257 .89577 .078 .42 |
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Mg4 .12485 .45165 .39642 .989 .35 |
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Fe4 .12485 .45165 .39642 .011 .35 |
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Fe5 .12369 .50609 .89507 .803 .55 |
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Mg5 .12369 .50690 .89507 .197 .55 |
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Si1a .27111 .27787 .55967 .30 |
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Si2a .26964 .39005 .56980 .40 |
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Si3a .27242 .44700 .06669 .42 |
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Si1b .48025 .27769 .26700 .33 |
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Si2b .48078 .38929 .27278 .43 |
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Si3b .47579 .44553 .77466 .47 |
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OHa .18329 .33519 .06241 .49 |
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OHb .56861 .33513 .76931 .50 |
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O1a .30061 .24981 .31159 .65 |
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O2a .18399 .27777 .56140 .40 |
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O3a .29949 .33407 .55638 .68 |
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O4a .18325 .39170 .56291 .50 |
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O5a .29980 .41491 .82585 .73 |
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O6a .30187 .42028 .33148 .69 |
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O7a .18560 .44852 .06801 .55 |
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O8a .31330 .49841 .08080 .61 |
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O1b .45141 .24443 .03443 .54 |
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O2b .56718 .27792 .26828 .41 |
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O3b .45168 .33338 .23045 .65 |
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O4b .56725 .39207 .27127 .60 |
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O5b .44881 .42441 .05168 .59 |
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O6b .45138 .40886 .54386 .76 |
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O7b .56296 .44849 .77718 .63 |
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O8b .43394 .49561 .71391 .62 |
|
|
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|
| |
|
Clinojimthompsonite |
|
Veblen D R, Burnham C W |
|
American Mineralogist 63 (1978) 1053-1073 |
|
New biopyriboles from Chester, Vermont: II. The crystal chemistry of |
|
jimthompsonite, clinojimthompsonite, and chesterite, and the amphibole-mica |
|
reaction |
|
_database_code_amcsd 0000688 |
|
9.874 27.240 5.316 90 109.5 90 C2/c |
|
atom x y z occ Biso |
|
Mg1 0 .0289 .25 .968 .14 |
|
Fe1 0 .0289 .25 .032 .14 |
|
Mg2 0 .0849 .75 .959 .16 |
|
Fe2 0 .0849 .75 .041 .16 |
|
Mg3 0 .1428 .25 .905 .18 |
|
Fe3 0 .1428 .25 .095 .18 |
|
Mg4 0 .2013 .75 .992 .15 |
|
Fe4 0 .2013 .75 .008 .15 |
|
Fe5 0 .2569 .25 .845 .43 |
|
Mg5 0 .2569 .25 .155 .43 |
|
Si1 .2909 .0277 .7656 .18 |
|
Si2 .2880 .1359 .7610 .24 |
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Si3 .2971 .1962 .2630 .25 |
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OH .1153 .0850 .1566 .23 |
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O1 .3499 .0037 .5413 .42 |
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O2 .1154 .0278 .6552 .47 |
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O3 .3449 .0840 .8197 .33 |
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O4 .1149 .1420 .6555 .48 |
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O5 .3535 .1713 .0344 .59 |
|
O6 .3523 .1628 .5390 .76 |
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O7 .1219 .1983 .1536 .45 |
|
O8 .3777 .2474 .3581 .48 |
|
|
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|
| |
|
Chesterite |
|
Veblen D R, Burnham C W |
|
American Mineralogist 63 (1978) 1053-1073 |
|
New biopyriboles from Chester, Vermont: II. The crystal chemistry of |
|
jimthompsonite, clinojimthompsonite, and chesterite, and the amphibole-mica |
|
reaction |
|
_database_code_amcsd 0000689 |
|
18.614 45.306 5.297 90 90 90 A2_1ma |
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atom x y z occ Biso |
|
MgMT1 .1267 .2675 .1461 .910 .38 |
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FeMT1 .1267 .2675 .1461 .090 .38 |
|
MgMT2 .1224 .3013 .6413 .811 .82 |
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FeMT2 .1224 .3013 .6413 .189 .82 |
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MgMT3 .1264 .3357 .1458 .916 .30 |
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FeMT3 .1264 .3357 .1458 .084 .30 |
|
MgMT4 .1243 .3715 .6423 .972 .33 |
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FeMT4 .1243 .3715 .6423 .028 .33 |
|
FeMT5 .1233 .4044 .1414 .805 .41 |
|
MgMT5 .1233 .4044 .1414 .195 .41 |
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MgMD1 .3771 .4654 .6443 .943 .30 |
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FeMD1 .3771 .4654 .6443 .057 .30 |
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MgMD2 .3749 .4296 .1489 .983 .33 |
|
FeMD2 .3749 .4296 .1489 .017 .33 |
|
MgMD3 .3718 .5 .1485 .786 .82 |
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FeMD3 .3718 .5 .1485 .214 .82 |
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MgMD4 .3752 .3963 .6457 .287 .41 |
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FeMD4 .3752 .3963 .6457 .713 .41 |
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SiT1A .2704 .2668 .8090 .36 |
|
SiT2A .2691 .3344 .8169 .44 |
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SiT3A .2732 .3682 .3168 .43 |
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SiT1B .4811 .2670 .5184 .49 |
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SiT2B .4816 .3334 .5245 .35 |
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SiT3B .4755 .3678 .0279 .43 |
|
SiD1A .2302 .4663 .3203 .44 |
|
SiD2A .2282 .4323 .8125 .43 |
|
SiD1B .5201 .4664 .9796 .35 |
|
SiD2B .5244 .4336 .4787 .43 |
|
OT1A .2990 .2499 .5616 -.03 |
|
OT2A .1823 .2672 .8112 -.06 |
|
OT3A .2976 .3002 .8001 .74 |
|
OT4A .1817 .3350 .8120 .69 |
|
OT5A .2992 .3490 .0750 .92 |
|
OT6A .3023 .3521 .5806 .91 |
|
OT7A .1836 .3694 .3130 .64 |
|
OT8A .3133 .3982 .3317 .37 |
|
OT1B .4523 .2468 .2777 .97 |
|
OT2B .5645 .2664 .5191 .28 |
|
OT3B .4503 .3001 .4841 .39 |
|
OT4B .5667 .3349 .5234 .51 |
|
OT5B .4497 .3551 .3010 .43 |
|
OT6B .4505 .3454 .7945 .69 |
|
OT7B .5599 .3688 .0326 .62 |
|
OT8B .4345 .3980 .9645 .68 |
|
OHTA .1835 .3005 .3086 .59 |
|
OHTB .5695 .3015 .0181 .44 |
|
OD1A .3154 .4647 .3101 .69 |
|
OD2A .3119 .4316 .8201 .64 |
|
OD4A .1858 .4004 .8281 .37 |
|
OD5A .2009 .4522 .5770 .92 |
|
OD6A .1974 .4476 .0804 .91 |
|
OD7A .2017 .5 .3064 .74 |
|
OD1B .4294 .4653 .9804 .51 |
|
OD2B .4357 .4309 .4738 .62 |
|
OD4B .5684 .4035 .5367 .68 |
|
OD5B .5513 .4457 .1995 .43 |
|
OD6B .5480 .4553 .7028 .69 |
|
OD7B .5442 .5 .0268 .39 |
|
OHDA .3187 .5 .8117 .59 |
|
OHDB .4337 .5 .4778 .44 |
|
|
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|
| |
|
Tetrahedrite |
|
Johnson M L, Burnham C W |
|
American Mineralogist 70 (1985) 165-170 |
|
Crystal structure refinement of an arsenic-bearing argentian tetrahedrite |
|
_database_code_amcsd 0000964 |
|
10.530 10.530 10.530 90 90 90 I-43m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu1 .25 .5 0 .633 .0049 .0016 .0016 0 0 0 |
|
Fe1 .25 .5 0 .24 .0049 .0016 .0016 0 0 0 |
|
Cu2 .2160 0 0 .647 .0101 .0122 .0122 0 0 -.0068 |
|
Ag2 .2160 0 0 .353 .0101 .0122 .0122 0 0 -.0068 |
|
Sb .2683 .2683 .2683 .675 .0023 .0023 .0023 -.0004 -.0004 -.0004 |
|
As .2683 .2683 .2683 .325 .0023 .0023 .0023 -.0004 -.0004 -.0004 |
|
S1 .1238 .1238 .3661 .0066 .0066 .0039 .0030 -.0011 -.0011 |
|
S2 0 0 0 5.2 |
|
|
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|
| |
|
Pyroxmangite |
|
Pinckney L R, Burnham C W |
|
American Mineralogist 73 (1988) 809-817 |
|
High-temperature crystal structure of pyroxmangite |
|
Sample: T = 24 C |
|
_database_code_amcsd 0001168 |
|
9.712 10.536 17.438 112.15 102.88 82.95 C-1 |
|
atom x y z occ Biso |
|
Mn1 -.0014 .0415 .1050 .973 .6 |
|
Mg1 -.0014 .0415 .1050 .027 .6 |
|
Mn2 -.0017 .1695 .3124 .952 .6 |
|
Mg2 -.0017 .1695 .3124 .048 .6 |
|
Mn3 .0016 .0686 .6057 .962 .6 |
|
Mg3 .0016 .0686 .6057 .038 .6 |
|
Mn4 .0144 .1766 .8064 .967 .6 |
|
Mg4 .0144 .1766 .8064 .033 .6 |
|
Mn5 .0040 .2698 .5098 .9 |
|
Mn6 .0618 .2634 .0177 .921 .9 |
|
Mg6 .0618 .2634 .0177 .079 .9 |
|
Mn7 -.0089 .3693 .2087 .9 |
|
Si1 .2024 .4433 .9350 .6 |
|
Si2 .2109 .3322 .7517 .5 |
|
Si3 .2124 .5318 .6627 .5 |
|
Si4 .2071 .4258 .4697 .5 |
|
Si5 .2096 .6318 .3805 .5 |
|
Si6 .2080 .5296 .1895 .5 |
|
Si7 .2036 .7101 .0895 .5 |
|
OA1 .1298 .0709 .0288 .7 |
|
OA2 .1194 .1877 .2267 .6 |
|
OA3 .1186 .9632 .3105 .7 |
|
OA4 .1232 .0908 .5206 .6 |
|
OA5 .1208 .8706 .6051 .6 |
|
OA6 .1246 .9864 .8061 .6 |
|
OA7 .1308 .7794 .8969 .6 |
|
OA8 .0984 .8418 .0943 .6 |
|
OB1 .1300 .3123 .9293 .8 |
|
OB2 .1255 .1977 .7239 .8 |
|
OB3 .1236 .6625 .7132 .6 |
|
OB4 .1220 .2883 .4275 .7 |
|
OB5 .1284 .7745 .4216 .7 |
|
OB6 .1210 .3967 .1340 .7 |
|
OC1 .1666 .4496 .8403 .6 |
|
OC2 .1625 .4013 .6791 .6 |
|
OC3 .1610 .4997 .5619 .7 |
|
OC4 .1518 .5315 .4190 .8 |
|
OC5 .1544 .5677 .2780 .8 |
|
OC6 .1569 .6595 .1581 .6 |
|
OC7 .1431 .5919 .9975 .6 |
|
|
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View JMOL 3-D Structure
|
| |
|
Pyroxmangite |
|
Pinckney L R, Burnham C W |
|
American Mineralogist 73 (1988) 809-817 |
|
High-temperature crystal structure of pyroxmangite |
|
Sample: T = 200 C |
|
_database_code_amcsd 0001169 |
|
9.715 10.549 17.424 112.05 102.83 82.94 C-1 |
|
atom x y z occ Biso |
|
Mn1 -.0014 .0411 .1052 .973 1.2 |
|
Mg1 -.0014 .0411 .1052 .027 1.2 |
|
Mn2 -.0015 .1695 .3129 .952 1.1 |
|
Mg2 -.0015 .1695 .3129 .048 1.1 |
|
Mn3 .0022 .0694 .6059 .962 1.0 |
|
Mg3 .0022 .0694 .6059 .038 1.0 |
|
Mn4 .0154 .1776 .8067 .967 1.1 |
|
Mg4 .0154 .1776 .8067 .033 1.1 |
|
Mn5 .0040 .2698 .5099 1.5 |
|
Mn6 .0628 .2642 .0186 .921 1.7 |
|
Mg6 .0628 .2642 .0186 .079 1.7 |
|
Mn7 -.0097 .3696 .2094 1.5 |
|
Si1 .2034 .4438 .9354 .9 |
|
Si2 .2117 .3334 .7524 .8 |
|
Si3 .2126 .5328 .6629 .9 |
|
Si4 .2069 .4261 .4701 .7 |
|
Si5 .2108 .6308 .3805 .8 |
|
Si6 .2077 .5289 .1901 .7 |
|
Si7 .2036 .7091 .0895 .7 |
|
OA1 .1298 .0723 .0302 1.3 |
|
OA2 .1198 .1877 .2276 1.0 |
|
OA3 .1194 .9634 .3111 .7 |
|
OA4 .1254 .0925 .5214 1.2 |
|
OA5 .1218 .8727 .6063 .7 |
|
OA6 .1266 .9888 .8072 1.1 |
|
OA7 .1318 .7827 .8981 1.1 |
|
OA8 .0991 .8406 .0945 1.0 |
|
OB1 .1322 .3096 .9288 1.6 |
|
OB2 .1258 .1968 .7222 1.1 |
|
OB3 .1248 .6603 .7107 1.1 |
|
OB4 .1215 .2907 .4267 1.2 |
|
OB5 .1293 .7709 .4217 1.1 |
|
OB6 .1225 .3974 .1341 .8 |
|
OC1 .1699 .4474 .8388 1.3 |
|
OC2 .1640 .4025 .6816 1.2 |
|
OC3 .1626 .5001 .5637 1.3 |
|
OC4 .1531 .5313 .4184 1.2 |
|
OC5 .1550 .5672 .2783 1.0 |
|
OC6 .1562 .6617 .1610 .9 |
|
OC7 .1459 .5920 .9965 1.3 |
|
|
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View JMOL 3-D Structure
|
| |
|
Pyroxmangite |
|
Pinckney L R, Burnham C W |
|
American Mineralogist 73 (1988) 809-817 |
|
High-temperature crystal structure of pyroxmangite |
|
Sample: T = 400 C |
|
_database_code_amcsd 0001170 |
|
9.739 10.585 17.482 112.02 102.66 82.97 C-1 |
|
atom x y z occ Biso |
|
Mn1 -.0013 .0401 .1052 .973 1.5 |
|
Mg1 -.0013 .0401 .1052 .027 1.5 |
|
Mn2 -.0018 .1693 .3132 .952 1.5 |
|
Mg2 -.0018 .1693 .3132 .048 1.5 |
|
Mn3 .0021 .0709 .6063 .962 1.4 |
|
Mg3 .0021 .0709 .6063 .038 1.4 |
|
Mn4 .0159 .1782 .8069 .967 1.6 |
|
Mg4 .0159 .1782 .8069 .033 1.6 |
|
Mn5 .0042 .2695 .5095 2.0 |
|
Mn6 .0626 .2647 .0190 .921 2.2 |
|
Mg5 .0626 .2647 .0190 .079 2.2 |
|
Mn7 -.0103 .3687 .2095 2.1 |
|
Si1 .2037 .4438 .9360 1.2 |
|
Si2 .2119 .3338 .7522 1.0 |
|
Si3 .2129 .5327 .6625 1.1 |
|
Si4 .2073 .4252 .4696 1.1 |
|
Si5 .2099 .6307 .3801 1.0 |
|
Si6 .2072 .5289 .1897 1.1 |
|
Si7 .2035 .7088 .0895 1.1 |
|
OA1 .1308 .0716 .0299 1.5 |
|
OA2 .1198 .1863 .2272 1.2 |
|
OA3 .1191 .9620 .3112 1.3 |
|
OA4 .1250 .0914 .5212 1.5 |
|
OA5 .1225 .8719 .6052 1.4 |
|
OA6 .1265 .9887 .8073 1.5 |
|
OA7 .1336 .7804 .8958 1.3 |
|
OA8 .0991 .8394 .094 1.4 |
|
OB1 .1320 .3135 .9316 1.6 |
|
OB2 .1255 .2009 .7236 1.4 |
|
OB3 .1238 .6634 .7114 1.5 |
|
OB4 .1218 .2898 .4281 1.6 |
|
OB5 .1274 .7718 .4212 1.6 |
|
OB6 .1214 .3969 .1357 1.6 |
|
OC1 .1706 .4487 .8410 1.3 |
|
OC2 .1642 .4046 .6809 1.6 |
|
OC3 .1630 .4977 .5616 1.7 |
|
OC4 .1533 .5301 .4191 1.8 |
|
OC5 .1557 .5676 .2790 2.0 |
|
OC6 .1568 .6570 .1581 1.4 |
|
OC7 .1454 .5912 .9976 1.4 |
|
|
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View JMOL 3-D Structure
|
| |
|
Pyroxmangite |
|
Pinckney L R, Burnham C W |
|
American Mineralogist 73 (1988) 809-817 |
|
High-temperature crystal structure of pyrxomangite |
|
Sample: T = 600 C |
|
Note: Si1x changed to a more reasonable value. |
|
_database_code_amcsd 0001171 |
|
9.754 10.617 17.506 111.99 102.56 82.97 C-1 |
|
atom x y z occ Biso |
|
Mn1 -.0015 .0391 .1050 .973 2.0 |
|
Mg1 -.0015 .0391 .105 .027 2.0 |
|
Mn2 -.0016 .1693 .3135 .952 2.0 |
|
Mg2 -.0016 .1693 .3135 .048 2.0 |
|
Mn3 .0020 .0720 .6064 .962 1.9 |
|
Mg3 .0020 .0720 .6064 .038 1.9 |
|
Mn4 .0164 .1792 .0872 .967 2.1 |
|
Mg4 .0164 .1792 .0872 .033 2.1 |
|
Mn5 .0042 .2694 .5094 2.7 |
|
Mn6 .0631 .2654 .0197 .921 2.8 |
|
Mg6 .0631 .2654 .0197 .079 2.8 |
|
Mn7 -.0108 .3686 .2101 2.8 |
|
Si1 .2047 .4438 .9362 1.4 |
|
Si2 .2124 .3353 .7527 1.3 |
|
Si3 .2139 .5337 .6628 1.4 |
|
Si4 .2072 .4252 .4692 1.4 |
|
Si5 .2104 .6300 .3803 1.3 |
|
Si6 .2071 .5281 .1898 1.2 |
|
Si7 .2027 .7083 .0895 1.2 |
|
OA1 .1304 .0720 .0301 1.8 |
|
OA2 .1198 .1856 .2279 1.3 |
|
OA3 .1198 .9623 .3125 1.6 |
|
OA4 .1268 .0927 .5221 2.1 |
|
OA5 .1235 .8720 .6052 1.7 |
|
OA6 .1268 .9897 .8076 1.8 |
|
OA7 .1331 .7811 .8952 1.6 |
|
OA8 .0981 .8377 .0941 1.8 |
|
OB1 .1327 .3150 .9326 2.1 |
|
OB2 .1258 .2025 .7241 1.8 |
|
OB3 .1245 .6630 .7115 2.0 |
|
OB4 .1213 .2903 .4281 2.2 |
|
OB5 .1275 .7698 .4209 2.1 |
|
OB6 .1198 .3967 .1365 1.8 |
|
OC1 .1714 .4486 .8419 1.7 |
|
OC2 .1649 .4060 .6822 2.1 |
|
OC3 .1646 .4962 .5611 2.3 |
|
OC4 .1546 .5300 .4193 2.2 |
|
OC5 .1564 .5677 .2793 2.4 |
|
OC6 .1570 .6574 .1581 1.8 |
|
OC7 .1469 .5913 .9977 1.9 |
|
|
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|
| |
|
Sillimanite |
|
Bish D L, Burnham C W |
|
American Mineralogist 77 (1992) 374-379 |
|
Rietveld refinement of the crystal structure of fibrolitic sillimanite using |
|
neutron powder diffraction data |
|
_database_code_amcsd 0001446 |
|
7.4841 7.6720 5.7707 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
Al1 0 0 0 0.0021 |
|
Al2 .1428 .3433 .25 .91 0.0031 |
|
Si2 .1428 .3433 .25 .09 0.0031 |
|
Si3 .1524 .3412 .75 .91 0.0028 |
|
Al3 .1524 .3412 .75 .09 0.0028 |
|
OA .3607 .4069 .75 0.0017 |
|
OB .3554 .4361 .25 0.0023 |
|
OC .4783 .0035 .75 0.0087 |
|
OD .1256 .2222 .5131 0.0033 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite-3T |
| |
Guven N, Burnham C W |
|
Zeitschrift fur Kristallographie 125 (1967) 163-183 |
|
The crystal structure of 3T muscovite |
|
Locality: in granodiorite near Sunrise Copper Prospect, Sultan Basin, |
|
Snohomish County, Washington, USA |
|
_database_code_amcsd 0010646 |
|
5.1963 5.1963 29.9705 90 90 120 P3_112 |
|
atom x y z occ Biso |
|
K .130 -.130 5/6 .90 1.73 |
|
Na .130 -.130 5/6 .06 1.73 |
|
Ca .130 -.130 5/6 .02 1.73 |
|
Ba .130 -.130 5/6 .02 1.73 |
|
Al1 -.230 .230 1/3 .83 .95 |
|
Fe3+1 -.230 .230 1/3 .04 .95 |
|
Fe2+1 -.230 .230 1/3 .04 .95 |
|
Mg1 -.230 .230 1/3 .08 .95 |
|
Ti1 -.230 .230 1/3 .01 .95 |
|
Al2 .100 -.100 1/3 .74 |
|
Si1 .796 .200 -.0894 .65 .19 |
|
Al1 .796 .200 -.0894 .35 .19 |
|
Si2 .462 .550 -.0895 .65 |
|
Oa .750 .178 -.0357 1.53 |
|
Ob .522 .566 -.0363 .40 |
|
OH .112 -.085 -.0337 .39 |
|
Oc .666 .857 -.1110 .74 |
|
Od .140 .451 -.1058 .80 |
|
Oe .563 .311 -.1098 .17 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pyroxferroite |
|
Burnham C W |
| |
Proceedings of the Second Lunar Science Conference 1 (1971) 47-57 |
|
The crystal structure of pyroxferroite from Mare Tranquillitatis |
|
Locality: Apollo 11 microgabbro sample 10047, Mare Tranquillitatis, Moon |
|
_database_code_amcsd 0015363 |
|
6.6213 7.5506 17.3806 114.267 82.684 94.576 P-1 |
|
atom x y z occ Biso |
|
FeM1 .0431 .4591 .3953 .64 |
|
FeM2 .1604 .3360 .1887 .92 .60 |
|
CaM2 .1604 .3360 .1887 .08 .60 |
|
FeM3 .0663 .4341 .8963 .66 |
|
FeM4 .1626 .3098 .6945 .96 .73 |
|
CaM4 .1626 .3098 .6945 .04 .73 |
|
FeM5 .2710 .2218 .9892 .72 1.23 |
|
CaM5 .2710 .2218 .9892 .28 1.23 |
|
FeM6 .8086 .8308 .5170 .81 1.49 |
|
CaM6 .8086 .8308 .5170 .19 1.49 |
|
FeM7 .6226 .8638 .7111 .65 1.12 |
|
CaM7 .6226 .8638 .7111 .35 1.12 |
|
Si1 .2431 .8551 .5661 .45 |
|
Si2 .1262 .9578 .7500 .42 |
|
Si3 .3251 .7544 .8399 .41 |
|
Si4 .7843 .1336 .9673 .44 |
|
Si5 .5812 .3419 .8786 .35 |
|
Si6 .6820 .2381 .6884 .59 |
|
Si7 .4910 .4119 .5887 .53 |
|
O-A1 .0563 .7004 .5297 .68 |
|
O-A2 .0633 .1960 .2730 .63 |
|
O-A3 .1534 .5817 .8123 .62 |
|
O-A4 .0338 .7069 .0183 .69 |
|
O-A5 .2407 .4938 .1061 .55 |
|
O-A6 .1320 .6077 .3051 .72 |
|
O-A7 .3481 .4167 .3963 .73 |
|
O-A8 .2503 .4417 .5942 .85 |
|
O-B1 .1783 .0628 .5724 .98 |
|
O-B2 .0744 .1820 .7787 .75 |
|
O-B3 .5460 .7060 .7907 1.48 |
|
O-B4 .8408 .9100 .9245 1.04 |
|
O-B5 .3561 .4066 .9200 .85 |
|
O-B6 .7350 .0164 .6307 .93 |
|
O-C1 .2878 .8866 .6621 .64 |
|
O-C2 .2501 .9367 .8214 1.07 |
|
O-C3 .3422 .8445 .9417 .89 |
|
O-C4 .6225 .1803 .9148 .86 |
|
O-C5 .5880 .2196 .7763 .59 |
|
O-C6 .4916 .3146 .6584 .77 |
|
O-C7 .5465 .2317 .4960 .79 |
|
|
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View JMOL 3-D Structure
|
| |
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