American Mineralogist Crystal Structure Database

29 matching records for this search.

Orthoclase
Download hom/orthoclase.pdf
Colville A A, Ribbe P H
Download am/vol53/AM53_25.pdf
American Mineralogist 53 (1968) 25-37
The crystal structure of an adularia and a refinement of the structure of
orthoclase
Note: Spencer B, variety adularia
_database_code_amcsd 0000166
8.554 12.970 7.207 90 116.01 90 C2/m
atom     x     y     z occ Biso
K    .2835     0 .1369     2.26
Si1  .0094 .1843 .2247 .61  .83
Al1  .0094 .1843 .2247 .39  .83
Si2  .7079 .1176 .3443 .89  .65
Al2  .7079 .1176 .3443 .11  .65
OA1      0 .1448     0      1.7
OA2  .6354     0 .2840      1.3
OB   .8276 .1448 .2277      2.2
OC   .0351 .3116 .2590      1.6
OD   .1818 .1254 .4075      1.2
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Orthoclase
Download hom/orthoclase.pdf
Colville A A, Ribbe P H
Download am/vol53/AM53_25.pdf
American Mineralogist 53 (1968) 25-37
The crystal structure of an adularia and a refinement of the structure of
orthoclase
Spencer C
_database_code_amcsd 0000167
8.561 12.996 7.192 90 116.01 90 C2/m
atom     x     y     z occ Biso
K    .2838     0 .1373     2.23
Si1  .0095 .1844 .2239 .65  .91
Al1  .0095 .1844 .2239 .35  .91
Si2  .7089 .1178 .3443 .85  .80
Al2  .7089 .1178 .3443 .15  .80
OA1      0 .1459     0      1.8
OA2  .6346     0 .2851      1.8
OB   .8280 .1470 .2282      2.2
OC   .0349 .3106 .2607      1.7
OD   .1815 .1258 .4065      1.6
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Norbergite
Download hom/norbergite.pdf
Gibbs G V, Ribbe P H
Download am/vol54/AM54_376.pdf
American Mineralogist 54 (1969) 376-390
The crystal structures of the humite minerals: I. Norbergite
_database_code_amcsd 0000190
4.7104 10.2718 8.7476 90 90 90 Pbnm
atom     x     y     z occ Biso
Mg1  .9890 .6330 .4305      .33
Mg2  .9924 .9077   .25      .38
Si   .4195 .7196   .25      .28
O1   .7617 .7204   .25      .38
O2   .2793 .5740   .25      .32
O3   .2690 .7907 .1034      .32
F    .7295 .9682 .0834  .9  .74
OH   .7295 .9682 .0834  .1  .74
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Chondrodite
Download hom/chondrodite.pdf
Gibbs G V, Ribbe P H, Anderson C P
Download am/vol55/AM55_1182.pdf
American Mineralogist 55 (1970) 1182-1194
The crystal structures of the humite minerals. II. Chondrodite
_database_code_amcsd 0000208
4.7284 10.2539 7.8404 109.059 90 90 P2_1/b
atom     x     y     z occ Biso
Mg1     .5     0    .5 .95  .49
Fe1     .5     0    .5 .05  .49
Mg2  .0091 .1731 .3055      .45
Mg3  .4915 .8867 .0791      .43
Si   .0768 .1441 .7038      .20
O1   .7787 .0009 .2937      .36
O2   .7280 .2404 .1252      .40
O3   .2255 .1682 .5275      .35
O4   .2649 .8546 .2943      .42
OH   .2656 .0582 .1018 .35  .50
F    .2656 .0582 .1018 .65  .50
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Zircon
Download hom/zircon.pdf
Robinson K, Gibbs G V, Ribbe P H
Download am/vol56/AM56_782.pdf
American Mineralogist 56 (1971) 782-790
The structure of zircon: A comparison with garnet
_database_code_amcsd 0000237
6.607 6.607 5.982 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125 .00096 .00096  .0012      0      0      0
Si   0   .75  .625  .0014  .0014  .0027      0      0      0
O    0 .0661 .1953  .0037  .0031  .0029      0      0      0
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Humite
Download hom/humite.pdf
Ribbe P H, Gibbs G V
Download am/vol56/AM56_1155.pdf
American Mineralogist 56 (1971) 1155-1173
Crystal structures of the humite minerals: III. Mg/Fe ordering in humite and its
relation to other ferromagnesian silicates
_database_code_amcsd 0000250
4.7408 10.2580 20.8526 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg1  .0017 .3773 .1767 .943  .50
Fe1  .0017 .3773 .1767 .057  .50
Mg2  .5108 .1540   .25 .943  .50
Fe2  .5108 .1540   .25 .057  .50
Mg3  .0087 .0976 .1092 .943  .50
Fe3  .0087 .0976 .1092 .057  .50
Mg4  .4925 .8665 .0278 .943  .50
Fe4  .4925 .8665 .0278 .057  .50
Si1  .0752 .9691   .25       .27
Si2  .5765 .2819 .1059       .15
O11  .7320 .9679   .25       .57
O12  .2816 .3233   .25       .54
O13  .2198 .0382 .1882       .47
O21  .2368 .2827 .1048       .33
O22  .7805 .9264 .1046       .52
O23  .7225 .2141 .1686       .49
O24  .7261 .2087 .0452       .35
F    .2621 .0328 .0357   .5  .59
OH   .2621 .0328 .0357   .5  .59
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Hydroxylclinohumite
 
Robinson K, Gibbs G V, Ribbe P H
Download am/vol58/AM58_43.pdf
American Mineralogist 58 (1973) 43-49
The crystal structures of the humite minerals. IV. Clinohumite and
titanclinohumite
_database_code_amcsd 0000301
4.7441 10.2501 13.6635 100.786 90 90 P2_1/b
atom     x     y     z occ Biso
Mg1c    .5     0    .5 .90  .41
Fe1c    .5     0    .5 .10  .41
Mg1n .4977 .9463 .2738 .91  .41
Fe1n .4977 .9463 .2738 .09  .41
Mg25 .0101 .1398 .1703 .97  .41
Fe25 .0101 .1398 .1703 .03  .41
Mg26 .5101 .2503 .3888 .88  .42
Fe26 .5101 .2503 .3888 .12  .42
Mg3  .4939 .8780 .0428      .45
Si1  .0741 .0663 .3891      .18
Si2  .0759 .1771 .8354      .21
O11  .7315 .0633 .3871      .37
O12  .2832 .4211 .3877      .58
O13  .2192 .1130 .2936      .42
O14  .2188 .1586 .4853      .52
O21  .2353 .3218 .1610      .54
O22  .7802 .9483 .1619      .30
O23  .7255 .2803 .2625      .34
O24  .7296 .2262 .0699      .29
OH   .2629 .0453 .0558      .71
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Hydroxylclinohumite
 
Robinson K, Gibbs G V, Ribbe P H
Download am/vol58/AM58_43.pdf
American Mineralogist 58 (1973) 43-49
The crystal structures of the humite minerals. IV. Clinohumite and
titanoclinohumite
_database_code_amcsd 0000302
4.7451 10.288 13.709 101.00 90 90 P2_1/b
atom     x     y     z occ Biso
Mg1c    .5     0    .5 .86  .50
Fe1c    .5     0    .5 .09  .50
Ti1c    .5     0    .5 .05  .50
Mg1n .4967 .9461 .2744 .84  .47
Fe1n .4967 .9461 .2744 .10  .47
Ti1n .4967 .9461 .2744 .06  .47
Mg25 .0143 .1403 .1699 .85  .49
Fe25 .0143 .1403 .1699 .10  .49
Ti25 .0143 .1403 .1699 .05  .49
Mg26 .5106 .2508 .3878 .85  .45
Fe26 .5106 .2508 .3878 .10  .45
Ti26 .5106 .2508 .3878 .05  .45
Mg3  .4956 .8837 .0409 .75  .52
Fe3  .4956 .8837 .0409 .20  .52
Ti3  .4956 .8837 .0409 .05  .52
Si1  .0727 .0667 .3900      .26
Si2  .0762 .1764 .8351      .25
O11  .7315 .0650 .3876      .72
O12  .2811 .4207 .3870      .48
O13  .2210 .1130 .2936      .48
O14  .2188 .1594 .4859      .62
O21  .2359 .3230 .1629      .46
O22  .7785 .9680 .1630      .67
O23  .7236 .2793 .2610      .58
O34  .7247 .2294 .0679      .65
OH   .2565 .0439 .0540      .64
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Sanidine
Download hom/sanidine.pdf
Phillips M W, Ribbe P H
Download am/vol58/AM58_263.pdf
American Mineralogist 58 (1973) 263-270
The structures of monoclinic potassium-rich feldspars
_database_code_amcsd 0000312
8.539 13.015 7.179 90 115.99 90 C2/m
atom      x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1   .0094 .1843 .2239 .71  .0031  .0011  .0037  -.0004  .0014  -.0002
Al1   .0094 .1843 .2239 .29  .0031  .0011  .0037  -.0004  .0014  -.0002
Si2   .7079 .1177 .3444 .79  .0028  .0008  .0040  -.0001  .0012  -.0001
Al2   .7079 .1177 .3444 .21  .0028  .0008  .0040  -.0001  .0012  -.0001
K     .2839     0 .1366      .0064  .0036  .0131       0  .0029       0
OA(1)     0 .1461     0      .0086  .0019  .0088       0  .0045       0
OA(2) .6330     0 .2851      .0066  .0013  .0098       0  .0016       0
OB    .8276 .1453 .2256      .0070  .0033  .0118  -.0008  .0052   .0001
OC    .0330 .3103 .2572      .0053  .0017  .0091  -.0005  .0022  -.0006
OD    .1813 .1265 .4038      .0066  .0021  .0076   .0002  .0018   .0002
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Orthoclase
Download hom/orthoclase.pdf
Phillips M W, Ribbe P H
Download am/vol58/AM58_263.pdf
American Mineralogist 58 (1973) 263-270
The structures of monoclinic potassium-rich feldspars
Note: variety adularia
_database_code_amcsd 0000313
8.545 12.967 7.201 90 116.00 90 C2/m
atom      x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1   .0093 .1842 .2243 .60  .0041  .0013  .0050  -.0003  .0022  -.0003
Al1   .0093 .1842 .2243 .40  .0041  .0013  .0050  -.0003  .0022  -.0003
Si2   .7078 .1176 .3445 .89  .0033  .0009  .0049       0  .0018   .0002
Al2   .7078 .1176 .3445 .11  .0033  .0009  .0049       0  .0018   .0002
K     .2834     0 .1372      .0065  .0036  .0128       0  .0030       0
OA(1)     0 .1447     0      .0081  .0021  .0115       0  .0049       0
OA(2) .6339     0 .2848      .0065  .0014  .0096       0  .0017       0
OB    .8262 .1449 .2280      .0077  .0033  .0125  -.0005  .0063   .0002
OC    .0339 .3117 .2585      .0057  .0018  .0095  -.0006  .0026  -.0006
OD    .1821 .1257 .4070      .0069  .0020  .0071   .0001  .0019   .0004
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Danburite
Download hom/danburite.pdf
Phillips M W, Gibbs G V, Ribbe P H
Download am/vol59/AM59_79.pdf
American Mineralogist 59 (1974) 79-85
The crystal structure of danburite: A comparison with anorthite, albite, and
reedmergnerite
_database_code_amcsd 0000395
8.038 8.752 7.730 90 90 90 Pnam
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3854 .0765 .2500  .0018  .0012  .0018 -.0001  .0000  .0000
B1   .2590 .4192 .4201  .0012  .0009  .0016  .0000  .0000  .0000
Si2  .0533 .1924 .9442  .0010  .0007  .0011  .0000  .0000 -.0001
O1   .1930 .0680 .9968  .0023  .0013  .0029  .0004 -.0005 -.0004
O2   .1263 .3650 .9567  .0021  .0012  .0022 -.0003 -.0007 -.0001
O3   .3998 .3135 .0781  .0018  .0016  .0019  .0002  .0003  .0002
O4   .5136 .6636 .2500  .0028  .0023  .0014  .0005  .0000  .0000
O5   .1838 .4282 .2500  .0018  .0026  .0014  .0003  .0000  .0000
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Hurlbutite
Download hom/hurlbutite.pdf
Lindbloom J T, Gibbs G V, Ribbe P H
Download am/vol59/AM59_1267.pdf
American Mineralogist 59 (1974) 1267-1271
The crystal structure of hurlbutite: A comparison with danburite and anorthite
_database_code_amcsd 0000431
8.299 8.782 7.798 90 90.5 90 P2_1/a
atom     x     y      z Biso
Ca   .3869 .0863  .2440  .66
P1m  .2626 .4177  .4395  .72
Be1o .2680 .4215  .0707  .75
P2o  .0588 .1976 -.0606  .38
Be2m .0566 .1949  .5698  .72
O1o  .1928 .0888  .0028  .60
O1m  .1881 .0737  .4965  .59
O2o  .1224 .3634 -.0550  .54
O2m  .1296 .3689  .5630  .78
O3o  .4215 .3096  .0675  .72
O3m  .4034 .3065  .4371  .61
O4   .4999 .6553  .2388  .73
O5   .1854 .4199  .2591  .77
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Feldspar
 
Chiari G, Calleri M, Bruno E, Ribbe P H
Download am/vol60/AM60_111.pdf
American Mineralogist 60 (1975) 111-119
The structure of partially disordered, synthetic strontium feldspar
_database_code_amcsd 0000444
8.388 12.974 14.264 90 115.2 90 I2/c
atom        x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sr      .2690 -.002 .0656      .0021  .0027  .0013  .0001  .0002 -.0002
SiT1(o) .0066 .1746 .1083  .9  .0023  .0015  .0006 -.0005  .0003 -.0001
AlT1(o) .0066 .1746 .1083  .1  .0023  .0015  .0006 -.0005  .0003 -.0001
SiT1(z) .0032 .1775 .6164  .1  .0036  .0016  .0004 -.0002  .0006  .0000
AlT1(z) .0032 .1775 .6164  .9  .0036  .0016  .0004 -.0002  .0006  .0000
SiT2(o) .6934 .1200 .1706  .1  .0019  .0016  .0004 -.0002  .0001 -.0001
AlT2(o) .6934 .1200 .1706  .9  .0019  .0016  .0004 -.0002  .0001 -.0001
SiT2(z) .6845 .1137 .6716  .9  .0035  .0012  .0006  .0001  .0005  .0001
AlT2(z) .6845 .1137 .6716  .1  .0035  .0012  .0006  .0001  .0005  .0001
OA(1)   .0045 .1289 .0003      .0039  .0023  .0006  .0009  .0008 -.0002
OA(2)   .5911 .0002 .1427      .0030  .0017  .0013  .0008  .0003  .0004
OB(o)   .8267 .1266 .1054      .0057  .0028  .0012 -.0002  .0017 -.0002
OB(z)   .8104 .1263 .6113      .0036  .0031  .0017 -.0013  .0016  .0000
OC(o)   .0132 .2984 .1186      .0043  .0026  .0007 -.0011  .0000 -.0004
OC(z)   .0188 .3090 .6304      .0043  .0021  .0018 -.0005  .0013 -.0002
OD(o)   .1876 .1245 .1955      .0058  .0029  .0010  .0003  .0006  .0002
OD(z)   .1960 .1190 .7027      .0036  .0031  .0006  .0004 -.0003 -.0001
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SrGa2Si2O8
 
Phillips M W, Kroll H, Pentinghaus H, Ribbe P H
Download am/vol60/AM60_659.pdf
American Mineralogist 60 (1975) 659-666
The structures of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8
_database_code_amcsd 0000467
9.0009 9.484 8.3987 90 90.682 90 P2_1/a
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sr   .8893 .4131 .2515       .0029  .0015  .0021  .0001 -.0001 -.0001
Ga1  .2284 .9257 .9302 .996  .0017  .0013  .0017  .0000 -.0001 -.0002
Si1  .2284 .9257 .9302 .004  .0017  .0013  .0017  .0000 -.0001 -.0002
Si2  .2434 .9185 .5596 .984  .0015  .0012  .0015  .0001  .0001  .0000
Ga2  .2434 .9185 .5596 .016  .0015  .0012  .0015  .0001  .0001  .0000
Si3  .0611 .2017 .9463       .0013  .0011  .0013 -.0002  .0000 -.0002
Ga4  .0530 .1910 .5732 .991  .0019  .0010  .0014  .0000  .0000  .0002
Si4  .0530 .1910 .5732 .009  .0019  .0010  .0014  .0000  .0000  .0002
O1   .1930 .0980 .0150       .0024  .0012  .0027  .0004 -.0005 -.0003
O2   .1899 .0692 .4894       .0031  .0013  .0030  .0006  .0004  .0005
O3   .1188 .3651 .9397       .0030  .0012  .0031 -.0009 -.0001  .0005
O4   .1230 .3718 .5594       .0026  .0015  .0033 -.0012  .0009  .0001
O5   .9268 .1961 .0734       .0013  .0024  .0026 -.0004  .0008 -.0009
O6   .8930 .1941 .4365       .0020  .0018  .0028 -.0004 -.0003  .0007
O7   .0016 .1449 .7742       .0048  .0025  .0018 -.0015  .0000 -.0001
O8   .3184 .9256 .7367       .0024  .0033  .0013 -.0005  .0006  .0000
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SrGa2Ge2O8
 
Phillips M W, Kroll H, Pentinghaus H, Ribbe P H
Download am/vol60/AM60_659.pdf
American Mineralogist 60 (1975) 659-666
The structure of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8
_database_code_amcsd 0000468
9.2056 9.6602 8.5834 90 90.432 90 P2_1/a
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sr   .8857 .4125 .2499  .0033  .0015  .0018  .0001  .0000  .0000
Ga1  .2359 .9242 .9329  .0020  .0013  .0011  .0001  .0000 -.0001
Ge1  .2425 .9206 .5622  .0018  .0011  .0010  .0002  .0000  .0000
Ge2  .0565 .1992 .9408  .0019  .0009  .0009  .0000  .0000  .0000
Ga2  .0529 .1945 .5685  .0020  .0010  .0010  .0001  .0001  .0000
O1   .1926 .0911 .0179  .0023  .0015  .0029  .0005 -.0006 -.0002
O2   .1905 .0784 .4833  .0034  .0009  .0024  .0012  .0004  .0007
O3   .1162 .3719 .9340  .0027  .0004  .0028 -.0005 -.0005  .0007
O4   .1182 .3729 .5658  .0038  .0017  .0020 -.0005  .0009  .0002
O5   .9134 .1970 .0737  .0011  .0021  .0032 -.0004  .0001 -.0007
O6   .9007 .1972 .4315  .0022  .0017  .0025 -.0013 -.0010  .0007
O7   .0017 .1363 .7605  .0057  .0032  .0010 -.0021  .0000  .0002
O8   .3282 .9250 .7450  .0026  .0048  .0021 -.0002 -.0003  .0012
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Celsian
Download hom/celsian.pdf
Griffen D T, Ribbe P H
Download am/vol61/AM61_414.pdf
American Mineralogist 61 (1976) 414-418
Refinement of the crystal structure of celsian
_database_code_amcsd 0000519
8.622 13.078 14.411 90 115.1 90 I2/c
atom     x      y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .2827      0  .0653      .0028  .0014  .0019 -.0001  .0007 -.0001
Al1  .0096  .1820  .1103  .5  .0028  .0009  .0012 -.0001  .0008 -.0001
Si1  .0096  .1820  .1103  .5  .0028  .0009  .0012 -.0001  .0008 -.0001
Al2  .0076  .1830  .6148  .5  .0013  .0007  .0008 -.0004  .0002  .0000
Si2  .0076  .1830  .6148  .5  .0013  .0007  .0008 -.0004  .0002  .0000
Al3  .7054  .1214  .1730  .5  .0022  .0004  .0009  .0003  .0005  .0001
Si3  .7054  .1214  .1730  .5  .0022  .0004  .0009  .0003  .0005  .0001
Al4  .7019  .1163  .6743  .5  .0016  .0007  .0010 -.0001  .0004  .0001
Si4  .7019  .1163  .6743  .5  .0016  .0007  .0010 -.0001  .0004  .0001
O1   .0005  .1377 -.0002      .0047  .0005  .0008 -.0005  .0006  .0000
O2   .6206 -.0003  .1438      .0031  .0002  .0022  .0008  .0005  .0004
O3   .8349  .1368  .1119      .0064  .0015  .0027 -.0011  .0022 -.0002
O4   .8198  .1370  .6136      .0039  .0009  .0016  .0004  .0004 -.0001
O5   .0220  .3062  .1210      .0055  .0009  .0022 -.0003  .0012  .0001
O6   .0293  .3120  .6312      .0024  .0019  .0022 -.0001  .0016  .0004
O7   .1836  .1296  .1958      .0038  .0019  .0017 -.0002  .0006 -.0003
O8   .1900  .1231  .7017      .0041  .0022  .0016  .0008  .0012  .0003
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Slawsonite
Download hom/slawsonite.pdf
Griffen D T, Ribbe P H, Gibbs G V
Download am/vol62/AM62_31.pdf
American Mineralogist 62 (1977) 31-35
The structure of slawsonite, a strontium analog of paracelsian
_database_code_amcsd 0000553
8.888 9.344 8.326 90 90.33 90 P2_1/a
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sr   .8902 .4122 .2503 .87  .0030  .0020  .0029  .0000  .0000  .0001
Ca   .8902 .4122 .2503 .13  .0030  .0020  .0029  .0000  .0000  .0001
Si1o .2321 .9249 .9311 .50  .0009  .0010  .0012  .0001  .0000  .0002
Al1o .2321 .9249 .9311 .50  .0009  .0010  .0012  .0001  .0000  .0002
Si1m .2405 .9199 .5605 .50  .0006  .0009  .0011  .0000  .0002  .0000
Al1m .2405 .9199 .5605 .50  .0006  .0009  .0011  .0000  .0002  .0000
Si2o .0595 .2006 .9440 .50  .0008  .0006  .0010 -.0002  .0000  .0001
Al2o .0595 .2006 .9440 .50  .0008  .0006  .0010 -.0002  .0000  .0001
Si2m .0541 .1944 .5706 .50  .0009  .0007  .0010 -.0001  .0001  .0000
Al2m .0541 .1944 .5706 .50  .0009  .0007  .0010 -.0001  .0001  .0000
O1o  .1910 .0934 .0100      .0021  .0015  .0022  .0007  .0003  .0000
O1m  .1875 .0740 .4937      .0025  .0010  .0028  .0008  .0008  .0005
O2o  .1192 .3658 .9458      .0013  .0007  .0022 -.0002 -.0007  .0003
O2m  .1236 .3699 .5573      .0017  .0012  .0020 -.0001  .0011 -.0002
O3o  .9202 .1919 .0699      .0013  .0016  .0015 -.0002  .0003 -.0002
O3m  .8979 .1923 .4399      .0010  .0016  .0029  .0000  .0001  .0004
O4   .0092 .1545 .7662      .0042  .0027  .0013 -.0012  .0000  .0000
O5   .3139 .9252 .7407      .0012  .0025  .0017 -.0006  .0003  .0002
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Malayaite
Download hom/malayaite.pdf
Higgins J B, Ribbe P H
Download am/vol62/AM62_801.pdf
American Mineralogist 62 (1977) 801-806
The structure of malayaite, CaSnOSiO4, a tin analog of titanite
Note: sample is from Red-a-Ven mine, Meldon, Devonshire, England
_database_code_amcsd 0000586
7.149 8.906 6.667 90 113.3 90 *A2/a
0 -.25 -.25
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca     .25 .9117   .75      .0136  .0008  .0044      0 -.0015      0
Sn      .5   .75   .25 .95  .0021  .0014  .0037 -.0002  .0008 -.0001
Ti      .5   .75   .25 .05  .0021  .0014  .0037 -.0002  .0008 -.0001
Si     .75 .9335   .75      .0032  .0002  .0029      0  .0010      0
O1     .75 .8367   .25      .0028  .0009  .0075      0  .0025      0
O2   .9125 .8171 .9255      .0034  .0024  .0038  .0007  .0007  .0004
O3   .3724 .9614 .1414      .0039  .0018  .0046  .0010  .0026 -.0002
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Dioptase
Download hom/dioptase.pdf
Ribbe P H, Gibbs G V, Hamil M
Download am/vol62/AM62_807.pdf
American Mineralogist 62 (1977) 807-811
A refinement of the structure of dioptase, Cu6[Si6O18]*6H2O
Note: sample is from Reneville, Congo
_database_code_amcsd 0000587
14.566 14.566 7.778 90 90 120 R-3
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Cu   .40646 .40251 .06300 .00037 .00059 .00146 -.00005 -.00028 -.00044
Si   .17563 .21741 .04130 .00051 .00045 .00118  .00030 -.00003  .00004
O1   .07147 .18088 -.0827 .00088 .00129 .00273  .00068  .00007 -.00010
O2   .28070 .29949 -.0641 .00055 .00087 .00144  .00014 -.00004 -.00026
O3   .15994 .26776 .21390 .00082 .00134 .00142  .00080 -.00059 -.00084
OW   .14217 .18201 .57850 .00304 .00281 .00469  .00195  .00053 -.00090
H1     .146   .106   .559 .00152 .00152 .00401  .00076       0       0
H2     .109   .162   .680 .00208 .00208 .00548  .00104       0       0
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Manganhumite
Download hom/manganhumite.pdf
Francis C A, Ribbe P H
Download am/vol63/AM63_874.pdf
American Mineralogist 63 (1978) 874-877
Crystal structures of the humite minerals: V. Magnesian manganhumite
_database_code_amcsd 0000686
4.815 10.580 21.448 90 90 90 Pbnm
atom     x     y     z occ Biso
Mn1  .0015 .3797 .1758 .70  .90
Mg1  .0015 .3797 .1758 .30  .90
Mn26 .5141 .1583   .25      .63
Mn25 .0085 .0974 .1090      .93
Mg3  .4907 .8657 .0270 .75  .84
Mn3  .4907 .8657 .0270 .25  .84
Si1  .0750 .9699   .25      .63
Si2  .5753 .2844 .1043      .57
O23  .7150 .2178 .1659      .97
O13  .2168 .0381 .1896      .80
O24  .7197 .2130 .0447      .86
O21  .2432 .2850 .1029      .89
O12  .2785 .3293   .25      .72
O11  .7421 .9680   .25      .84
O22  .7778 .9252 .1031      .75
OH   .2631 .0306 .0333      .87
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Microcline
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Ribbe P H
Download am/vol64/AM64_402.pdf
American Mineralogist 64 (1979) 402-408
The structure of a strained intermediate microcline in cryptoperthitic
association with twinned plagioclase
feldspar
_database_code_amcsd 0000714
8.643 12.929 7.190 90.1 116.2 89.6 C-1
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K    .2867 .9985 .1406      .0070  .0038  .0155  .0003  .0039  .0002
Si1o .0095 .1844 .2225 .75  .0051  .0009  .0064  .0002  .0031  .0002
Al1o .0095 .1844 .2225 .25  .0051  .0009  .0064  .0002  .0031  .0002
Si1m .0091 .8168 .2249 .75  .0052  .0007  .0063  .0006  .0029  .0005
Al1m .0091 .8168 .2249 .25  .0052  .0007  .0063  .0006  .0029  .0005
Si2o .7105 .1184 .3413 .75  .0054  .0005  .0076  .0001  .0028  .0006
Al2o .7105 .1184 .3413 .25  .0054  .0005  .0076  .0001  .0028  .0006
Si2m .7095 .8826 .3433 .75  .0054  .0007  .0087  .0001  .0028  .0001
Al2m .7095 .8826 .3433 .25  .0054  .0007  .0087  .0001  .0028  .0001
Oa1  .0005 .1440 .9977      .0111  .0018  .0159  .0000  .0066  .0006
Oa2  .6382 .0011 .2809      .0092  .0018  .0119  .0004  .0018  .0009
Obo  .8251 .1472 .2228      .0103  .0038  .0159 -.0011  .0078  .0006
Obm  .8278 .8534 .2274      .0108  .0043  .0140  .0002  .0068  .0000
Oco  .0367 .3116 .2580      .0080  .0021  .0150 -.0003  .0046 -.0009
Ocm  .0378 .6903 .2602      .0078  .0014  .0141  .0004  .0039  .0009
Odo  .1815 .1240 .4075      .0109  .0012  .0126  .0001  .0040  .0006
Odm  .1790 .8749 .4085      .0096  .0016  .0135  .0002  .0038  .0000
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Forsterite
Download hom/forsterite.pdf
Francis C A, Ribbe P H
Download am/vol65/AM65_1263.pdf
American Mineralogist 65 (1980) 1263-1269
The forsterite-tephroite series: I. Crystal structure refinements
Sample: Fo51 olivine
Locality: Langban, Sweden
_database_code_amcsd 0000801
4.794 10.491 6.123 90 90 90 Pbnm
atom     x     y     z occ B(1,1)  B(2,2)  B(3,3)  B(1,2) B(1,3)  B(2,3)
Mg1      0     0     0     0.0031 0.00135 0.00250 -.00010 -.0005 -.00034
Mn2  .9870 .2790   .25 .97 0.0061 0.00116 0.00366 0.00024      0       0
Mg2  .9870 .2790   .25 .03 0.0061 0.00116 0.00366 0.00024      0       0
Si   .4226 .0910   .25     0.0031 0.00096 0.00250       0      0       0
O1   .7585 .0867   .25     0.0022 0.00170 0.00370 -.00020      0       0
O2   .2301 .4489   .25     0.0040 0.00110 0.00380 -.00050      0       0
O3   .2782 .1590 .0374     0.0039 0.00130 0.00360 0.00000 0.0000 0.00040
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Tephroite
Download hom/tephroite.pdf
Francis C A, Ribbe P H
Download am/vol65/AM65_1263.pdf
American Mineralogist 65 (1980) 1263-1269
The forsterite-tephroite series: I. Crystal structure refinements
Sample: Te 91 olivine
Locality: Madagascar
_database_code_amcsd 0000802
4.879 10.589 6.234 90 90 90 Pbnm
atom     x     y     z occ B(1,1)  B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mn1      0     0     0 .83 0.0058 0.00220 0.0048      0 -.0007 -.0007
Mg1      0     0     0 .17 0.0058 0.00220 0.0048      0 -.0007 -.0007
Mn2  .9877 .2801   .25     0.0067 0.00137 0.0045 0.0001      0      0
Si   .4265 .0951   .25     0.0054 0.00140 0.0045 0.0001      0      0
O1   .7574 .0914   .25     0.0029 0.00250 0.0067 0.0001      0      0
O2   .2162 .4525   .25     0.0057 0.00140 0.0056 -.0002      0      0
O3   .2875 .1625 .0401     0.0075 0.00190 0.0049 0.0002 0.0000 0.0004
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Yoderite
Download hom/yoderite.pdf
Higgins J B, Ribbe P H, Nakajima Y
Download am/vol67/AM67_76.pdf
American Mineralogist 67 (1982) 76-84
An ordering model for the commensurate antiphase structure of yoderite
Ordered, T = 20 deg C
Note: the sample is from Mautia Hill, Tanzania
_database_code_amcsd 0000855
8.022 5.816 7.250 90 104.9 90 P2_1/m
atom     x     y     z occ Biso
Si1  .0637   .25 .7984     0.46
Si2  .3396   .75 .8024     0.61
Al1  .2952 .0051 .1776 .75 0.56
Mg1  .2952 .0051 .1776 .25 0.56
Al2  .3888   .25 .6301 .50 0.72
Mg2  .3888   .25 .6301 .50 0.72
Al3  .0557   .25 .3539 .84 0.75
Fe   .0557   .25 .3539 .16 0.75
O1   .0573 .9801 .2147     0.69
O2   .4525 .9760 .7812     1.33
O3   .1478   .25 .6145     0.91
O4   .2206   .25 .9928     0.72
O5   .2979   .25 .3615     0.93
O6   .1652   .75 .6322     0.81
O7   .2830   .75 .0045     1.06
O8   .3597   .75 .3643     1.16
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Yoderite
Download hom/yoderite.pdf
Higgins J B, Ribbe P H, Nakajima Y
Download am/vol67/AM67_76.pdf
American Mineralogist 67 (1982) 76-84
An ordering model for the commensurate antiphase structure of yoderite
Disordered after heating to 800 C, at T = 20 C
Note: the sample is from Mautia Hill, Tanzania
_database_code_amcsd 0000856
8.027 5.805 7.252 90 104.9 90 P2_1/m
atom     x     y     z occ Biso
Si1  .0634   .25 .7987     0.39
Si2  .3393   .75 .8014     0.56
Al1  .2948 .0049 .1780 .75 0.58
Mg1  .2948 .0049 .1780 .25 0.58
Al2  .3889   .25 .6299 .50 0.59
Mg2  .3889   .25 .6299 .50 0.59
Al3  .0559   .25 .3543 .84 0.47
Fe   .0559   .25 .3543 .16 0.47
O1   .0562 .9804 .2156     0.60
O2   .4532 .9764 .7785     1.14
O3   .1489   .25 .6166     0.80
O4   .2207   .25 .9930     0.74
O5   .2995   .25 .3622     0.78
O6   .1645   .75 .6299     0.72
O7   .2842   .75 .0040     0.93
O8   .3623   .75 .3631     1.04
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Oligoclase
Download hom/oligoclase.pdf
Phillips M W, Colville A A, Ribbe P H
 
Zeitschrift fur Kristallographie 133 (1971) 43-65
The crystal structures of two oligoclases: a comparison with low and high albite
Locality: Camedo, Switzerland
Sample: An16
_database_code_amcsd 0010721
8.154 12.823 7.139 94.06 116.50 88.59 C-1
atom      x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na    .2685 .9949 .1423 .821  4.8  .0082  .0138  .0296  .0004  .0033 -.0147
Ca    .2685 .9949 .1423 .179  4.8  .0082  .0138  .0296  .0004  .0033 -.0147
AlT1o .0079 .1673 .2104 .744 1.13  .0060  .0018  .0067 -.0006  .0028  .0003
SiT1o .0079 .1673 .2104 .256 1.13  .0060  .0018  .0067 -.0006  .0028  .0003
AlT1m .0035 .8189 .2347 .112  .85  .0045  .0013  .0050  .0003  .0020  .0003
SiT1m .0035 .8189 .2347 .888  .85  .0045  .0013  .0050  .0003  .0020  .0003
AlT2o .6902 .1099 .3160 .158  .92  .0044  .0012  .0059 -.0002  .0020  .0001
SiT2o .6902 .1099 .3160 .842  .92  .0044  .0012  .0059 -.0002  .0020  .0001
AlT2m .6823 .8806 .3589 .165  .87  .0038  .0012  .0060  .0001  .0019  .0002
SiT2m .6823 .8806 .3589 .835  .87  .0038  .0012  .0060  .0001  .0019  .0002
OA1   .0052 .1312 .9716
OA2   .5891 .9954 .2797       1.4  .0054  .0016  .0087 -.0003  .0023  .0007
OBo   .8125 .1090 .1900       1.6  .0073  .0025  .0105 -.0006  .0041 -.0002
OBm   .8190 .8513 .2532       2.1  .0105  .0029  .0161  .0007  .0084  .0002
OCo   .0143 .2983 .2740       1.6  .0065  .0025  .0101 -.0009  .0032 -.0008
OCm   .0209 .6916 .2246       1.6  .0083  .0024  .0102  .0005  .0037  .0001
ODo   .2032 .1092 .3871       1.5  .0079  .0023  .0083  .0002  .0028  .0006
ODm   .1854 .8673 .4334       1.6  .0082  .0022  .0100  .0000  .0024 -.0002
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Oligoclase
Download hom/oligoclase.pdf
Phillips M W, Colville A A, Ribbe P H
 
Zeitschrift fur Kristallographie 133 (1971) 43-65
The crystal structures of two oligoclases: a comparison with low and high albite
Locality: Camedo, Switzerland
Sample: An28
_database_code_amcsd 0010722
8.169 12.851 7.124 93.63 116.40 89.46 C-1
atom      x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na    .2689 .0040 .1331 .723  5.4  .0060  .0189  .0374  .0011  .0010 -.0219
Ca    .2689 .0040 .1331 .277  5.4  .0060  .0189  .0374  .0011  .0010 -.0219
AlT1o .0078 .1658 .2124 .625  .92  .0053  .0017  .0051 -.0005  .0023  .0003
SiT1o .0078 .1658 .2124 .375  .92  .0053  .0017  .0051 -.0005  .0023  .0003
AlT1m .0035 .8178 .2328 .211  .85  .0044  .0016  .0042  .0005  .0015  .0004
SiT1m .0035 .8178 .2328 .789  .85  .0044  .0016  .0042  .0005  .0015  .0004
AlT2o .6882 .1095 .3169 .217  .81  .0039  .0012  .0051  .0000  .0016  .0004
SiT2o .6882 .1095 .3169 .783  .81  .0039  .0012  .0051  .0000  .0016  .0004
AlT2m .6824 .8796 .3574 .224  .82  .0038  .0013  .0053  .0001  .0019  .0003
SiT2m .6824 .8796 .3574 .776  .82  .0038  .0013  .0053  .0001  .0019  .0003
OA1   .0049 .1304 .9766       2.0  .0110  .0030  .0079  .0006  .0044  .0011
OA2   .5871 .9938 .2789       1.0  .0050  .0015  .0078 -.0004  .0025  .0010
OBo   .8135 .1072 .1903       1.6  .0080  .0024  .0104 -.0009  .0045  .0002
OBm   .8189 .8511 .2507       2.3  .0094  .0031  .0169  .0006  .0073  .0007
OCo   .0148 .2949 .2771       1.7  .0074  .0023  .0102 -.0007  .0025  .0004
OCm   .0188 .6902 .2187       1.5  .0075  .0025  .0080  .0015  .0017 -.0001
ODo   .2007 .1091 .3866       1.3  .0058  .0024  .0073  .0005  .0019  .0004
ODm   .1878 .8670 .4320       1.3  .0071  .0030  .0073 -.0006  .0088 -.0008
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Sapphirine
Download hom/sapphirine.pdf
Higgins J B, Ribbe P H
 
Contributions to Mineralogy and Petrology 68 (1979) 357-368
A neutron and x-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering monoclinic sapphirine
Locality: Bekily, Madagasgar
Note: Data from neutron, known as sapphirine II
_database_code_amcsd 0012321
11.286 14.438 9.957 90 125.4 90 P2_1/a
atom      x      y     z occ Biso
Mg1   .0087  .1583 .1374 .04  .45
Mg2  -.0080  .1561 .6140 .06  .46
Mg3  -.0027  .0563 .3708 .56  .52
Mg4   .0010  .0572 .8719       .4
Mg5   .0084  .3664 .1430      .47
Mg6  -.0075  .3649 .6096      .63
Mg7  -.0002  .2571 .8752  .0  .68
Mg8   .2501  .2497 .8744 .12  .60
Al1   .0087  .1583 .1374 .96  .45
Al2  -.0080  .1561 .6140 .94  .46
Al3  -.0027  .0563 .3708 .44  .52
Al4   .0010  .0572 .8719  .0  .48
Al5   .0084  .3664 .1430  .0  .47
Al6  -.0075  .3649 .6096  .0  .63
Al7  -.0002  .2571 .8752      .68
Al8   .2501  .2497 .8744 .88  .60
Al1   .1990  .5551 .2457 .92  .59
Al2   .2030  .5530 .7556 .01  .86
Al3   .2012  .4494 .5070 .51  .63
Al4   .1977  .4410 .0044 .92  .40
Al5   .1872  .7551 .7548      .46
Al6   .1873  .2460 .5049 .73  .63
Si1   .1990  .5551 .2457 .08  .59
Si2   .2030  .5530 .7556 .99  .86
Si3   .2012  .4494 .5070 .49  .63
Si4   .1977  .4410 .0044 .08  .40
Si5   .1872  .7551 .7548  .0  .46
Si6   .1873  .2460 .5049 .27  .63
O1    .1215  .2548 .1199      .28
O2    .1287  .2514 .6330      .35
O3    .1196  .0580 .1267      .36
O4    .1124  .0568 .6191      .64
O5    .1138  .1570 .3651      .89
O6    .1052  .1675 .8468      .68
O7    .1107 -.0514 .3738      .84
O8    .1090 -.0576 .8682      .83
O9    .3729  .2490 .1142      .86
O10   .3777  .2455 .6288      .96
O11   .3586  .0402 .1254      .70
O12   .3661  .0419 .6269      .66
O13   .3870  .3439 .3864      .65
O14   .3932  .3333 .8999      .59
O15   .3647  .1486 .3525      .58
O16   .3740  .1550 .8762      .45
O17   .1390  .4564 .1240      .72
O18   .1444  .4626 .6304      .83
O19   .1339  .3495 .3975      .82
O20   .1247  .3446 .8711      .65
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Sapphirine
Download hom/sapphirine.pdf
Higgins J B, Ribbe P H
 
Contributions to Mineralogy and Petrology 68 (1979) 357-368
A neutron and x-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering monoclinic sapphirine
Locality: Bekily, Madagasgar
Note: Data from x-ray diffraction, known as sapphirine II
_database_code_amcsd 0012322
11.286 14.438 9.957 90 125.4 90 P2_1/a
atom      x      y     z occ Biso
Mg1   .0076  .1584 .1369 .04  .46
Mg2  -.0088  .1563 .6134 .06  .52
Mg3  -.0060  .0566 .3724 .56  .29
Mg4  -.0026  .0575 .8732      .46
Mg5   .0086  .3665 .1426      .38
Mg6  -.0083  .3651 .6079      .41
Mg7   .0001  .2568 .8754  .0  .49
Mg8   .2505  .2496 .8752 .12  .48
Al1   .0076  .1584 .1369 .96  .46
Al2  -.0088  .1563 .6134 .94  .52
Al3  -.0060  .0566 .3724 .44  .29
Al4  -.0026  .0575 .8732  .0  .46
Al5   .0086  .3665 .1426  .0  .38
Al6  -.0083  .3651 .6079  .0  .41
Al7   .0001  .2568 .8754      .49
Al8   .2505  .2496 .8752 .88  .48
Al1   .1977  .5550 .2470 .92  .60
Al2   .2021  .5528 .7571 .01  .67
Al3   .2020  .4498 .5054 .51  .50
Al4   .1988  .4413 .0028 .92  .42
Al5   .1880  .7552 .7554      .43
Al6   .1875  .2459 .5046 .73  .48
Si1   .1977  .5550 .2470 .08  .60
Si2   .2021  .5528 .7571 .99  .67
Si3   .2020  .4498 .5054 .49  .50
Si4   .1988  .4413 .0028 .08  .42
Si5   .1880  .7552 .7554  .0  .43
Si6   .1875  .2459 .5046 .27  .48
O1    .1222  .2555 .1197      .38
O2    .1297  .2519 .6334      .49
O3    .1218  .0588 .1295      .31
O4    .1148  .0573 .6227      .77
O5    .1130  .1571 .3639     .104
O6    .1041  .1682 .8448      .65
O7    .1080 -.0512 .3707      .91
O8    .1056 -.0580 .8645      .96
O9    .3735  .2492 .1136      .92
O10   .3784  .2458 .6286     .110
O11   .3560  .0407 .1234      .47
O12   .3633  .0424 .6245      .52
O13   .3866  .3433 .3855      .71
O14   .3932  .3322 .8997      .53
O15   .3647  .1479 .3532      .65
O16   .3743  .1552 .8777      .56
O17   .1366  .4576 .1216      .90
O18   .1422  .4641 .6281     .106
O19   .1341  .3491 .3987      .73
O20   .1250  .3439 .8714      .65
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Total number of retrieved datasets: 29
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