American Mineralogist Crystal Structure Database

14 matching records for this search.

Anorthite
Download hom/anorthite.pdf
Foit F F, Peacor D R
Download am/vol58/AM58_665.pdf
American Mineralogist 58 (1973) 665-675
The anorthite crystal structure at 410 and 830 C
T = 410 C
_database_code_amcsd 0000370
8.194 12.897 14.190 92.98 115.82 91.15 P-1
atom          x     y     z Biso
Ca(000)   .2672 .9878 .0822 3.80
Ca(z00)   .2740 .0333 .5452 1.65
Ca(0i0)   .7736 .5326 .5465 1.27
Ca(zi0)   .7623 .5099 .0656 2.21
Si1(0000) .0132 .1548 .1069  1.0
Si1(00i0) .5009 .6644 .6026  1.2
Si1(mz00) .9998 .8116 .6106   .9
Si1(mzi0) .5066 .3238 .1129  1.1
Si2(0z00) .6723 .1059 .6625  1.4
Si2(0zi0) .1834 .6063 .1545   .7
Si2(m000) .6742 .8806 .1864  1.2
Si2(m0i0) .1805 .3822 .6753   .9
Al1(0z00) .0059 .1587 .6111  1.1
Al1(0zi0) .4994 .6704 .1126   .8
Al1(m000) .9897 .8110 .1192  1.1
Al1(m0i0) .5115 .3187 .6204   .8
Al2(0000) .6896 .1146 .1565  1.6
Al2(00i0) .1899 .6126 .6645   .9
Al2(mz00) .6835 .8711 .6727  1.1
Al2(mzio) .1866 .3799 .1813   .8
OA(1000)  .0156 .1335 .9943  1.7
OA(1z00)  .9785 .1295 .4869  1.2
OA(10i0)  .4988 .6191 .4870  1.5
OA(1zio)  .5199 .6262 .9947  1.5
OA(2000)  .5826 .9939 .1516  1.3
OA(2z00)  .5730 .9931 .6473  1.7
OA(20i0)  .0783 .4874 .6308   .7
OA(2zi0)  .0793 .4905 .1313   .7
OB(0000)  .8103 .1086 .0865  1.9
OB(0z00)  .8117 .1013 .6035  1.4
OB(00i0)  .3343 .5947 .5985  1.3
OB(0zi0)  .2825 .6068 .0819  1.6
OB(m000)  .8226 .8585 .1374  2.6
OB(mz00)  .8129 .8546 .6066  1.6
OB(m0i0)  .2960 .3546 .6161  2.1
OB(mzio)  .3403 .3592 .1262  3.2
OC(0000)  .0283 .2754 .1491  1.7
OC(0z00)  .0384 .2922 .6471  1.6
OC(00i0)  .4994 .7846 .6253  1.1
OC(0zi0)  .5002 .7974 .1511  1.3
OC(m000)  .9987 .6808 .1152  1.3
OC(mz00)  .0042 .6888 .6098  1.8
OC(m0i0)  .5193 .1812 .6023  1.6
OC(mzi0)  .5114 .1926 .0946  1.5
OD(0000)  .1821 .1131 .1941  2.6
OD(0z00)  .2126 .1087 .6879  1.3
OD(00i0)  .6984 .6029 .6822  1.1
OD(0zi0)  .6885 .6001 .1973  1.7
OD(m000)  .2043 .8773 .2136  1.7
OD(mz00)  .1657 .8592 .7160  2.8
OD(m0i0)  .6857 .3597 .7251  2.1
OD(mzi0)  .7024 .3629 .2041  1.3
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Anorthite
Download hom/anorthite.pdf
Foit F F, Peacor D R
Download am/vol58/AM58_665.pdf
American Mineralogist 58 (1973) 665-675
The anorthite crystal structure at 410 and 830 C
T = 830 C
_database_code_amcsd 0000371
8.223 12.915 14.204 92.75 115.80 91.02 P-1
atom          x     y     z Biso
Ca(000)   .2704 .9831 .0843  4.4
Ca(z00)   .2756 .0325 .5468 2.73
Ca(0i0)   .7737 .5294 .5488 2.68
Ca(zi0)   .7640 .5053 .0689 2.73
Si1(0000) .0144 .1556 .1087  1.3
Si1(00i0) .5011 .6672 .6002  1.4
Si1(mz00) .9994 .8104 .6119  1.7
Si1(mzi0) .5063 .3234 .1105  1.0
Si2(0z00) .6742 .1087 .6658  1.3
Si2(0zi0) .1842 .6037 .1535  1.2
Si2(m000) .6763 .8820 .1864  1.2
Si2(m0i0) .1814 .3815 .6735  1.3
Al1(0z00) .0053 .1586 .6099  1.5
Al1(0zi0) .5001 .6735 .1150  0.8
Al1(m000) .9958 .8088 .1190  1.6
Al1(m0i0) .5051 .3217 .6199  1.0
Al2(0000) .6940 .1173 .1543  2.2
Al2(00i0) .1911 .6130 .6674   .7
Al2(mz00) .6881 .8725 .6726  1.2
Al2(mzio) .1857 .3790 .1819  1.8
OA(1000)  .0102 .1413 .9929  1.0
OA(1z00)  .9678 .1276 .4843  2.4
OA(10i0)  .4993 .6122 .4892  1.8
OA(1zio)  .5247 .6269 .9986  1.2
OA(2000)  .5817 .9948 .1556  1.2
OA(2z00)  .5775 .9898 .6503  1.8
OA(20i0)  .0822 .4886 .6282  1.2
OA(2zi0)  .0789 .4919 .1276  1.0
OB(0000)  .8046 .1144 .0866  2.6
OB(0z00)  .8133 .1045 .6110  2.8
OB(00i0)  .3403 .5955 .5994  2.0
OB(0zi0)  .2943 .6064 .0851  1.8
OB(m000)  .8008 .8460 .1255  3.5
OB(mz00)  .8142 .8556 .6015  1.6
OB(m0i0)  .3166 .3706 .6270  3.6
OB(mzio)  .3402 .3569 .1319  3.7
OC(0000)  .0365 .2757 .1515  3.0
OC(0z00)  .0108 .2952 .6342  2.1
OC(00i0)  .5017 .7873 .6226  1.5
OC(0zi0)  .5210 .7967 .1572  2.2
OC(m000)  .0021 .6780 .1187  1.8
OC(mz00)  .0114 .6944 .6146  1.3
OC(m0i0)  .5222 .1861 .6020  2.4
OC(mzi0)  .5060 .1881 .0918  2.3
OD(0000)  .1771 .1053 .1930  2.5
OD(0z00)  .2004 .1226 .6962  2.9
OD(00i0)  .7009 .6093 .6812  1.8
OD(0zi0)  .6996 .5954 .1918  1.2
OD(m000)  .1981 .8832 .2076  2.6
OD(mz00)  .1655 .8639 .7176  3.9
OD(m0i0)  .6880 .3604 .7240  2.1
OD(mzi0)  .7034 .3621 .2023  1.7
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Datolite
Download hom/datolite.pdf
Foit F F, Phillips M W, Gibbs G V
Download am/vol58/AM58_909.pdf
American Mineralogist 58 (1973) 909-914
A refinement of the crystal structure of datolite, CaBSiO4(OH)
_database_code_amcsd 0000387
4.832 7.608 9.636 90 90.40 90 P2_1/c
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .99176 .10618 .33611 .00332 .00166 .00087 -.00023  .00019 -.00007
Si   .46882 .26626 .08440 .00248 .00102 .00058  .00033  .00009 -.00007
B     .5683  .4107  .3415 .00283 .00148 .00107 -.00008  .00019  .00025
O1    .2401  .4008  .0376 .00611 .00278 .00156  .00108 -.00013 -.00002
O2    .6694  .3010  .4575 .00488 .00267 .00107  .00072  .00020  .00038
O3    .6755  .3346  .2104 .00423 .00284 .00092  .00059 -.00008 -.00050
O4    .3152  .0876  .1460 .00602 .00137 .00187  .00006  .00111  .00008
O5    .2588  .4137  .3363 .00387 .00298 .00156  .00087  .00035  .00004
H       .20   .444   .405 .00835 .00337 .00210  .00000  .00003  .00000
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Dravite
Download hom/dravite.pdf
Foit F F, Rosenberg P E
Download am/vol64/AM64_788.pdf
American Mineralogist 64 (1979) 788-798
The structure of vanadium-bearing tourmaline and its implications regarding
tourmaline solid solutions
Locality: Silver Knob, Mariposa County, California, USA
_database_code_amcsd 0000739
15.967 15.967 7.191 90 90 120 R3m
atom      x       y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
NaX       0       0 .21764 .46 .00196 .00196 .00670  .00098       0        0
CaX       0       0 .21764 .36 .00196 .00196 .00670  .00098       0        0
MgX       0       0 .21764 .18 .00196 .00196 .00670  .00098       0        0
MgY  .12353 .061765 .63364 .62 .00058 .00042 .00306  .00029 -.00047 -.000235
VY   .12353 .061765 .63364 .25 .00058 .00042 .00306  .00029 -.00047 -.000235
CrY  .12353 .061765 .63364 .06 .00058 .00042 .00306  .00029 -.00047 -.000235
FeY  .12353 .061765 .63364 .06 .00058 .00042 .00306  .00029 -.00047 -.000235
AlZ  .29782 .261520 .61011 .93 .00044 .00051 .00181  .00022 0.00001  0.00011
VZ   .29782 .261520 .61011 .06 .00044 .00051 .00181  .00022 0.00001  0.00011
TiZ  .29782 .261520 .61011 .01 .00044 .00051 .00181  .00022 0.00001  0.00011
SiT  .19173 .189900      0 .94 .00039 .00039 .00192  .00018 -.00002  -.00009
AlT  .19173 .189900      0 .06 .00039 .00039 .00192  .00018 -.00002  -.00009
B    .10976 .219520 .45178     .00046 .00041 .00277 .000205 -.00001  -.00002
OH1       0       0 .77026     .00113 .00113 .00341 .000565       0        0
O2   .06085 .121700 .48140     .00099 .00048 .00541  .00024 0.00011  0.00022
O3   .26387 .131935 .50919     .00187 .00104 .00242 .000935 0.00011 0.000055
O4   .09306 .186120 .07162     .00075 .00157 .00398 .000785 -.00014  -.00028
O5   .18444 .092220 .09256     .00180 .00071 .00420  .00090 0.00004  0.00002
O6   .19548 .185760 .77616     .00087 .00082 .00218  .00044 -.00008  -.00021
O7   .28559 .285360 .07803     .00073 .00063 .00294  .00014 -.00030  -.00015
O8   .20903 .269840 .43879     .00036 .00080 .00484  .00027 0.00019  0.00040
H3   .26150 .130750 .39010
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Titanite
Download hom/titanite.pdf
Hollabaugh C L, Foit F F
Download am/vol69/AM69_725.pdf
American Mineralogist 69 (1984) 725-732
The crystal structure of an Al-rich titanite from Grisons, Switzerland
_database_code_amcsd 0000942
7.050 8.681 6.539 90 113.9 90 A2/a
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Ca     .25 .1672     0 .01026 .00103 .00318      0 -.00071       0
Ti      .5     0    .5 .00760 .00160 .00204 .00151 0.00063 -.00008
Si     .75 .1831     0 .00210 .00068 .00231      0 0.00084       0
O1     .75 .0714    .5 .00262 .00137 .00592      0 0.00230       0
O2   .9098 .0664 .1855 .00358 .00189 .00242 .00083 0.00000 0.00030
O3   .3818 .2107 .3974 .00340 .00164 .00320 .00046 0.00154 0.00036
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Titanite
Download hom/titanite.pdf
Hollabaugh C L, Foit F F
Download am/vol69/AM69_725.pdf
American Mineralogist 69 (1984) 725-732
The crystal structure of an Al-rich titanite from Grisons, Switzerland
_database_code_amcsd 0000943
7.050 8.681 6.539 90 113.9 90 P2_1/a
atom     x     y     z Biso
Ca   .2327 .9172 .7545  .44
Ti   .5149 .7541 .2493  .32
Si   .7562 .9327 .7570  .24
O1   .7465 .8213 .2362  .38
O2   .9209 .8231 .9376  .58
O3   .3837 .9652 .1421  .52
O4   .9010 .3109 .4345  .22
O5   .3798 .4562 .6523  .35
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Titanite
Download hom/titanite.pdf
Hollabaugh C L, Foit F F
Download am/vol69/AM69_725.pdf
American Mineralogist 69 (1984) 725-732
The crystal structure of an Al-rich titanite from Grisons, Switzerland
_database_code_amcsd 0000944
7.050 8.681 6.539 90 113.9 90 P2_1
atom     x     y     z Biso
Ca1  .5001 .9179 .7498  .55
Ca2  .0253 .0835 .2442  .48
Ti1  .7662 .7559 .2486  .42
Ti2  .7356 .2491 .7506  .35
Si1  .9971 .9305 .7583  .75
Si2  .4912 .0653 .2462 -.01
O1a  .9889 .8162 .2459  .40
O1b  .5011 .1736 .7686  .31
O2a  .1671 .8214 .9456  .93
O2b  .3261 .1799 .0682  .18
O3a  .6327 .9608 .1389 -.06
O3b  .8748 .0421 .8595 1.13
O4a  .1547 .3046 .4304  .36
O4b  .3534 .6808 .5626  .14
O5a  .6278 .4544 .6533  .93
O5b  .8612 .5339 .3432  .16
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Schorl
Download hom/schorl.pdf
Foit F F
Download am/vol74/AM74_422.pdf
American Mineralogist 74 (1989) 422-431
Crystal chemistry of alkali-deficient schorl and tourmaline structural
relationships
Locality: Jack Creek deposit, near Basin, Montana, USA
_database_code_amcsd 0001229
15.963 15.963 7.148 90 90 120 R3m
atom      x      y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
NaX       0      0 .2215  .55      0.0268 0.0268 0.0207 0.0134      0       0
FeY  .12292 .06146 .6297 .587      0.0073 0.0044 0.0125 .00365 -.0039 -.00195
AlY  .12292 .06146 .6297 .297      0.0240 0.0237 0.0083 0.0120 0.0036   .0018
MgY  .12292 .06146 .6297 .110      0.0240 0.0237 0.0083 0.0120 0.0036   .0018
TiY  .12292 .06146 .6297 .006      0.0240 0.0237 0.0083 0.0120 0.0036   .0018
AlZ  .29800 .26134 .6094           0.0049 0.0056 0.0047 0.0026 -.0002   .0007
SiT  .19180 .18981     0 .977      0.0055 0.0056 0.0060 0.0026 -.0002  -.0006
AlT  .19180 .18981     0 .023      0.0055 0.0056 0.0060 0.0026 -.0002  -.0006
B     .1101  .2202 .4535           0.0072 0.0093 0.0085 .00465  .0000   .0000
O1        0      0 .7771  .48      0.0339 0.0339 0.0107 .01695      0       0
OH1       0      0 .7771  .38      0.0339 0.0339 0.0107 .01695      0       0
F1        0      0 .7771  .14      0.0339 0.0339 0.0107 .01695      0       0
O2   .06166 .12332 .4871           0.0217 0.0086 0.0101 0.0043 .00035   .0007
O3    .2666  .1333 .5083           0.0222 0.1199 0.0074 0.0111  .0007  .00035
O4   .09380 .18760 .0694           0.0081 0.0159 0.0104 .00795 -.0003  -.0006
O5    .1877 .09385 .0922           0.0153 0.0087 0.0105 .00765  .0010   .0005
O6    .1971  .1867 .7754           0.0106 0.0105 0.0053 0.0049 -.0002  -.0006
O7    .2854 .28601 .0783           0.0079 0.0072 0.0081 0.0022  .0003  -.0011
O8    .2099  .2706 .4397           0.0068 0.0116 0.0107 0.0048  .0008   .0020
H3     .268   .134  .398      .047
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Gillulyite
Download hom/gillulyite.pdf
Foit F F, Robinson P D, Wilson J R
Download am/vol80/AM80_394.pdf
American Mineralogist 80 (1995) 394-399
The crystal structure of gillulyite, Tl2(As,Sb)8S13, from the Mercur gold
deposit, Tooele County, Utah, U.S.A
_database_code_amcsd 0001733
9.584 5.679 21.501 90 100.07 90 P2/n
atom     x     y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1  .8102 .9483  .1488  .5   .035   .035   .066  -.004   .024  -.008
Tl2  .1895 .8829  .2589  .5   .130   .052   .125  -.009  -.077  -.004
As1  .4732 .4472  .0883       .010   .013   .021   .001  .0023   .002
As2  .2587 .9009  .0205       .019   .025   .029   .003   .008   .014
As3  .0965 .4476  .0883       .011   .014   .023   .000  .0069   .001
As4  .8077 .2107  .1446 .43   .015   .016   .016   .001   .008   .002
Sb1  .8077 .2107  .1446 .07   .015   .016   .016   .001   .008   .002
As5  .8087 .6617  .1468 .46   .017   .014   .015  -.002   .006   .002
Sb2  .8087 .6617  .1468 .04   .017   .014   .015  -.002   .006   .002
S1   .3105  .388  .1543       .009   .025   .030   .002   .007   .009
S2   .6452  .437  .1813       .015   .024   .018   .001   .009  -.002
S3   .4708  .850  .0876       .019   .014   .051  -.004   .001   .000
S4   .2435  .543 -.0191       .023   .052   .018   .005   .010  -.004
S5   .0980  .852  .0879       .028   .023   .031   .001   .013  -.002
S6   .9980  .434  .1811       .012   .027   .018  -.004   .009   .000
S7    .844  .941  .2254  .5   .028   .019   .013   .007   .005   .001
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Richterite
Download hom/richterite.pdf
Gunter M E, Dyar M D, Twamley B, Foit F F, Cornelius S
Download am/vol88/AM88_1970.pdf
American Mineralogist 88 (2003) 1970-1978
Composition, Fe3+/Sum(Fe), and crystal structure of non-asbestiform and
asbestiform amphiboles from Libby, Montana, U.S.A.
_database_code_amcsd 0003186
9.8787 18.024 5.2875 90 104.377 90 C2/m
atom       x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT(1) .2791 .0848 .2960 .995 .011   .015   .011   .008   .000   .005  -.001
AlT(1) .2791 .0848 .2960 .005 .011   .015   .011   .008   .000   .005  -.001
SiT(2) .2872 .1714 .8031 .995 .011   .015   .012   .007  -.001   .004   .000
AlT(2) .2872 .1714 .8031 .005 .011   .015   .012   .007  -.001   .004   .000
MgM(1)     0 .0886    .5  .99 .009   .013   .009   .005      0   .003      0
AlM(1)     0 .0886    .5  .01 .009   .013   .009   .005      0   .003      0
MgM(2)     0 .1796     0  .82 .010   .012   .011   .007      0   .004      0
FeM(2)     0 .1796     0  .18 .010   .012   .011   .007      0   .004      0
MgM(3)     0     0     0  .84 .020   .026   .020   .016      0   .007      0
FeM(3)     0     0     0  .16 .020   .026   .020   .016      0   .007      0
MnM(4)     0 .2772    .5  .02 .018   .024   .016   .018      0   .012      0
CaM(4)     0 .2772    .5  .56 .018   .024   .016   .018      0   .012      0
NaM(4)     0 .2772    .5  .42 .018   .024   .016   .018      0   .012      0
NaA        0    .5     0  .28 .105   .127   .058   .188      0   .147      0
KA         0    .5     0  .20 .105   .127   .058   .188      0   .147      0
O(1)   .1113 .0865 .2166      .013   .017   .013   .008  -.001   .004  -.001
O(2)   .1186 .1702 .7269      .014   .017   .015   .011  -.001   .005  -.001
O(3)   .1081     0 .7138      .014   .018   .016   .010      0   .006      0
O(4)   .3634 .2487 .7956      .015   .020   .015   .009  -.004   .005  -.001
O(5)   .3459 .1315 .0922      .015   .018   .018   .010   .000   .005   .004
O(6)   .3419 .1182 .5877      .014   .017   .015   .011  -.001   .004  -.002
O(7)   .3364     0 .2935      .016   .013   .016   .016      0   .004      0
H      .2148     0 .7750      .030
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Tetrahedrite
Download hom/tetrahedrite.pdf
Foit F F, Hughes J M
Download am/vol89/AM89_159.pdf
American Mineralogist 89 (2004) 159-163
Structural variations in mercurian tetrahedrite
Sample A2 from the Spring Creek Claims in Harney County, Oregon
_database_code_amcsd 0003193
10.3310 10.3310 10.3310 90 90 90 I-43m
atom      x      y      z  occ  Uiso
CuM1    .25    1/2      0 .967 .0209
HgM1    .25    1/2      0 .033 .0209
CuM2  .2168      0      0  .97 .0559
SbX  .26566 .26566 .26566  .58 .0168
AsX  .26566 .26566 .26566  .42 .0168
S1    .1169  .1169 .35910      .0176
S2        0      0      0       .020
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Tetrahedrite
Download hom/tetrahedrite.pdf
Foit F F, Hughes J M
Download am/vol89/AM89_159.pdf
American Mineralogist 89 (2004) 159-163
Structural variations in mercurian tetrahedrite
Sample E3 from the Spring Creek Claims in Harney County, Oregon
_database_code_amcsd 0003194
10.3794 10.3794 10.3794 90 90 90 I-43m
atom      x      y      z  occ  Uiso
CuM1    .25    1/2      0 .880 .0217
HgM1    .25    1/2      0 .120 .0217
CuM2  .7839      0      0       .054
SbX  .73414 .73414 .73414  .79 .0160
AsX  .73414 .73414 .73414  .21 .0160
S1    .8834  .8834  .6417      .0158
S2        0      0      0       .017
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Tetrahedrite
Download hom/tetrahedrite.pdf
Foit F F, Hughes J M
Download am/vol89/AM89_159.pdf
American Mineralogist 89 (2004) 159-163
Structural variations in mercurian tetrahedrite
Sample C2 from the Spring Creek Claims in Harney County, Oregon
_database_code_amcsd 0003195
10.3777 10.3777 10.3777 90 90 90 I-43m
atom      x      y      z  occ  Uiso
CuM1    .25    1/2      0 .880 .0221
HgM1    .25    1/2      0 .120 .0221
CuM2  .7840      0      0      .0543
SbX  .73436 .73436 .73436  .73 .0163
AsX  .73436 .73436 .73436  .27 .0163
S1    .8835  .8835  .6421      .0170
S2        0      0      0       .018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Tetrahedrite
Download hom/tetrahedrite.pdf
Foit F F, Hughes J M
Download am/vol89/AM89_159.pdf
American Mineralogist 89 (2004) 159-163
Structural variations in mercurian tetrahedrite
Sample E5 from the Spring Creek Claims in Harney County, Oregon
_database_code_amcsd 0003196
10.4033 10.4033 10.4033 90 90 90 I-43m
atom      x      y      z  occ  Uiso
CuM1    .25    1/2      0 .795 .0243
HgM1    .25    1/2      0 .205 .0243
CuM2  .7849      0      0  .99 .0515
SbX  .73550 .73550 .73550  .70 .0173
AsX  .73550 .73550 .73550  .30 .0173
S1    .8836  .8836  .6433      .0184
S2        0      0      0       .018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then hitting the "Download Selected Data" button.

Total number of retrieved datasets: 14
View in amc, download in amc


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