American Mineralogist Crystal Structure Database

36 matching records for this search.

Osumilite
Download hom/osumilite.pdf
Brown G E, Gibbs G V
Download am/vol54/AM54_101.pdf
American Mineralogist 54 (1969) 101-116
Refinement of the crystal structure of osumilite
_database_code_amcsd 0000188
10.155 10.155 14.284 90 90 120 P6/mcc
atom     x     y     z  occ Biso
K        0     0   .25  .71  3.6
Na       0     0   .25  .28  3.6
Ca       0     0   .25  .01  3.6
Mg   .3333 .6667   .25  .46  .90
Fe   .3333 .6667   .25  .46  .90
Mn   .3333 .6667   .25  .08  .90
Si1  .1037 .3513 .1085  .85 1.25
Al1  .1037 .3513 .1085  .15 1.25
Al2     .5     0   .25  .88 1.31
Fe2     .5     0   .25  .12 1.31
O1   .1216 .4046     0       2.5
O2   .2142 .2837 .1316       2.4
O3   .1372 .4913 .1789       1.8
Wat   .031  .114     0 .166    9
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #12018 at T = 24 C
Note: variety hortonolite
_database_code_amcsd 0000323
4.771 10.274 6.011 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)
Si   .4270 .0946   .25       .0021  .0008  .0028  .0001      0      0
Mg1      0     0     0 .814  .0027  .0012  .0027      0 -.0004 -.0004
Fe1      0     0     0 .186  .0027  .0012  .0027      0 -.0004 -.0004
Mg2  .9888 .2778   .25 .826  .0044  .0007  .0030  .0001      0      0
Fe2  .9888 .2778   .25 .164  .0044  .0007  .0030  .0001      0      0
Ca2  .9888 .2778   .25 .010  .0044  .0007  .0030  .0001      0      0
O1   .7661 .0918   .25       .0029  .0014  .0038  .0002      0      0
O2   .2194 .4482   .25       .0041  .0010  .0040      0      0      0
O3   .2795 .1634 .0336       .0046  .0014  .0040  .0001 -.0002  .0005
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #OG2B at T = 24 C
Note: variety hortonolite
_database_code_amcsd 0000324
4.775 10.28 6.016 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)
Si   .4275 .0950   .25       .0019  .0008  .0023  .0001      0       0
Mg1      0     0     0 .708  .0025  .0013  .0022  .0001 -.0002 -.00005
Fe1      0     0     0 .292  .0025  .0013  .0022  .0001 -.0002 -.00005
Mg2  .9880 .2782   .25 .712  .0045  .0009  .0026  .0002      0       0
Fe2  .9880 .2782   .25 .288  .0045  .0009  .0026  .0002      0       0
O1   .7666 .0919   .25       .0030  .0016  .0034  .0003      0       0
O2   .2179 .4489   .25       .0049  .0010  .0033 -.0004      0       0
O3   .2806 .1638 .0340       .0041  .0016  .0031  .0001 -.0001  .00060
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #12052 at T = 24 C
Note: variety hortonolite
_database_code_amcsd 0000325
4.785 10.298 6.028 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)
Si   .4276 .0952   .25       .0027  .0005  .0029  .0001      0      0
Mg1      0     0     0 .675  .0036  .0009  .0026      0 -.0004 -.0004
Fe1      0     0     0 .325  .0036  .0009  .0026      0 -.0004 -.0004
Mg2  .9877 .2783   .25 .705  .0053  .0003  .0028  .0001      0      0
Fe2  .9877 .2783   .25 .285  .0053  .0003  .0028  .0001      0      0
Ca2  .9877 .2783   .25 .010  .0053  .0003  .0028  .0001      0      0
O1   .7659 .0920   .25       .0036  .0009  .0041  .0001      0      0
O2   .2181 .4493   .25       .0057  .0005  .0036  .0002      0      0
O3   .2809 .1637 .0340       .0054  .0011  .0046  .0003 -.0001  .0006
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #12052 T = 375 C
Note: variety hortonolite
_database_code_amcsd 0000326
4.795 10.337 6.045 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)
Si   .4279 .0952   .25       .0052  .0012  .0050  .0001      0      0
Mg1      0     0     0 .677  .0084  .0025  .0053 -.0001 -.0010 -.0010
Fe1      0     0     0 .323  .0084  .0025  .0053 -.0001 -.0010 -.0010
Mg2  .9886 .2788   .25 .703  .0112  .0013  .0060  .0001      0      0
Fe2  .9886 .2788   .25 .287  .0112  .0013  .0060  .0001      0      0
Ca2  .9886 .2788   .25 .010  .0112  .0013  .0060  .0001      0      0
O1   .7654 .0919   .25       .0048  .0027  .0064  .0006      0      0
O2   .2177 .4496   .25       .0111  .0012  .0070 -.0003      0      0
O3   .2816 .1636 .0348       .0102  .0024  .0064  .0002 -.0005  .0011
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #12052 at T = 710 C
Note: variety hortonolite
_database_code_amcsd 0000327
4.805 10.366 6.068 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)
Si   .4274 .0950   .25       .0069  .0024  .0081  .0001      0      0
Mg1      0     0     0 .670  .0111  .0045  .0093 -.0002 -.0015 -.0017
Fe1      0     0     0 .330  .0111  .0045  .0093 -.0002 -.0015 -.0017
Mg2  .9892 .2792   .25 .710  .0146  .0027  .0103  .0001      0      0
Fe2  .9892 .2792   .25 .280  .0146  .0027  .0103  .0001      0      0
Ca2  .9892 .2792   .25 .010  .0146  .0027  .0103  .0001      0      0
O1   .7650 .0925   .25       .0074  .0036  .0124  .0009      0      0
O2   .2169 .4507   .25       .0119  .0032  .0101 -.0001      0      0
O3   .2829 .1636 .0357       .0131  .0044  .0108  .0005 -.0002  .0017
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Liebenbergite
Download hom/liebenbergite.pdf
Rajamani V, Brown G E, Prewitt C T
Download am/vol60/AM60_292.pdf
American Mineralogist 60 (1975) 292-299
Cation ordering in Ni-Mg olivine
_database_code_amcsd 0000455
4.7366 10.1716 5.9374 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4260 .0937   .25       .30
Ni1      0     0     0 .767  .26
Mg1      0     0     0 .233  .26
Ni2  .9907 .2750   .25 .263  .27
Mg2  .9907 .2750   .25 .737  .27
O1   .7672 .0931   .25       .44
O2   .2193 .4451   .25       .42
O3   .2755 .1625 .0316       .45
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Titanite
Download hom/titanite.pdf
Taylor M, Brown G E
Download am/vol61/AM61_435.pdf
American Mineralogist 61 (1976) 435-447
High-temperature structural study of the P2_1/a - A2/a phase transition in
synthetic titanite, CaTiSiO5
T = 25 deg C
_database_code_amcsd 0000520
7.068 8.714 6.562 90 113.82 90 P2_1/a
atom     x     y     z Biso
Ca   .2439 .4184 .2513 1.26
Ti   .5124 .2557 .7498  .60
Si   .7494 .4327 .2493  .40
O1   .7497 .3212 .7498  .70
O2   .9095 .3175 .4329  .75
O3   .0870 .1851 .0626  .60
O4   .3813 .4586 .6448  .52
O5   .6178 .0381 .8520  .73
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Titanite
Download hom/titanite.pdf
Taylor M, Brown G E
Download am/vol61/AM61_435.pdf
American Mineralogist 61 (1976) 435-447
High-temperature structural study of the P2_1/a - A2/a phase transition in
synthetic titanite, CaTiSiO5
T = 165 deg C
_database_code_amcsd 0000521
7.067 8.726 6.568 90 113.77 90 P2_1/a
atom     x     y     z Biso
Ca   .2434 .4185 .2521 1.56
Ti   .5110 .2528 .7504  .82
Si   .7536 .4328 .2492  .52
O1   .7519 .3206 .7513  .90
O2   .9110 .3186 .4365  .90
O3   .0901 .1861 .0660  .96
O4   .3813 .4582 .6442  .82
O5   .6179 .0384 .8504  .95
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Titanite
Download hom/titanite.pdf
Taylor M, Brown G E
Download am/vol61/AM61_435.pdf
American Mineralogist 61 (1976) 435-447
High-temperature structural study of the P2_1/a - A2/a phase transition in
synthetic titanite, CaTiSiO5
T = 270 deg C
_database_code_amcsd 0000522
7.060 8.737 6.565 90 113.7 90 *A2/a
0 .25 -.25
atom     x     y     z Biso
Ca     .25 .4187   .25 1.81
Ti      .5   .25   .75 1.05
Si     .75 .4331   .25  .62
O1     .75 .3197   .75 1.06
O2   .9104 .3160 .4342 1.05
O3   .3820 .4600 .6467 1.00
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Titanite
Download hom/titanite.pdf
Taylor M, Brown G E
Download am/vol61/AM61_435.pdf
American Mineralogist 61 (1976) 435-447
High-temperature structural study of the P2_1/a - A2/a phase transition in
synthetic titanite, CaTiSiO5
T = 515 deg C
_database_code_amcsd 0000523
7.077 8.743 6.584 90 113.68 90 *A2/a
0 .25 -.25
atom     x     y     z Biso
Ca     .25 .4187   .25 2.41
Ti      .5   .25   .75 1.26
Si     .75 .4330   .25  .76
O1     .75 .3212   .75 1.38
O2   .9102 .3166 .4346 1.37
O3   .3816 .4603 .6477 1.29
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Titanite
Download hom/titanite.pdf
Taylor M, Brown G E
Download am/vol61/AM61_435.pdf
American Mineralogist 61 (1976) 435-447
High-temperature structural study of the P2_1/a - A2/a phase transition in
synthetic titanite, CaTiSiO5
T = 740 deg C
_database_code_amcsd 0000524
7.083 8.753 6.596 90 113.55 90 *A2/a
0 .25 -.25
atom     x     y     z Biso
Ca     .25 .4191   .25 2.94
Ti      .5   .25   .75 1.47
Si     .75 .4328   .25  .93
O1     .75 .3210   .75 1.70
O2   .9093 .3167 .4341 1.73
O3   .3817 .4601 .6482 1.57
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Hydrochlorborite
Download hom/hydrochlorborite.pdf
Brown G E, Clark J R
Download am/vol63/AM63_814.pdf
American Mineralogist 63 (1978) 814-823
Crystal structure of hydrochlorborite, Ca2[B3O3(OH)4.OB(OH)3]Cl.7H2O,
a seasonal evaporite mineral
_database_code_amcsd 0000683
22.783 8.745 17.066 90 96.705 90 I2/a
atom      x      y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Ca1  .03304  .1717 .1619      .00075  .0031 .00086 -.00020 .00024  .0001
Ca2  .21377  .0575 .2956      .00068  .0038 .00081  .00005 .00023  .0002
B1    .1592  .3150 .1914       .0005  .0031  .0005  -.0004  .0001  .0006
B2    .1897  .4666 .3166       .0009  .0044  .0011  -.0004  .0003  .0005
B3    .0884  .4902 .2469       .0004  .0000  .0014  -.0001  .0002  .0007
B4   -.0107  .5596 .1714       .0005  .0044  .0010   .0001  .0001  .0001
Cl    .1335  .6356 .0084      .00128  .0068 .00141   .0005 .00026  .0002
O1    .1939  .3289 .2693       .0008  .0036  .0005   .0002  .0000 -.0001
O2    .1007  .3904 .1885       .0005  .0040  .0001   .0007 -.0001 -.0001
O3    .1293  .5301 .3076       .0005  .0068  .0014   .0007 -.0003 -.0014
O4    .0336  .5556 .2414       .0008  .0049  .0013   .0002  .0003 -.0015
O5    .1475  .1498 .1803       .0010  .0027  .0005  -.0003  .0003 -.0009
O6    .1934  .3764 .1312       .0008  .0054  .0008  -.0001  .0004  .0000
O7    .2056  .4355 .4012       .0011  .0054  .0003   .0001  .0000 -.0002
O8    .2318  .5793 .2887       .0009  .0058  .0010  -.0004  .0004 -.0002
O9   -.0575  .6534 .1975       .0008  .0071  .0013  -.0006  .0003  .0013
O10  -.0302  .4001 .1507       .0008  .0047  .0017  -.0001  .0001  .0008
O11  .01100  .6323 .1021       .0012  .0051  .0008  -.0003  .0003  .0006
O12  .05470  .2142 .0269       .0019  .0103  .0013   .0008  .0007  .0009
O13  .06100  .9145 .1354       .0014  .0052  .0022  -.0004  .0002 -.0009
O14  .05610  .5759 .4218       .0010  .0098  .0012   .0007  .0004 -.0003
O15  .23790 -.1601 .3917       .0012  .0064  .0013  -.0001  .0000  .0002
O16  .13580  .8585 .2767       .0011  .0046  .0023   .0000  .0000  .0006
O17  .16370  .1488 .4039       .0016  .0062  .0011  -.0001  .0007  .0002
O18  .17450  .9943 .0443       .0014  .0101  .0012  -.0005  .0004 -.0008
H1     .158   .120  .147    4
H2     .159   .431  .096    6
H3     .245   .451  .418    1
H4     .242   .668  .328    1
H5    -.103   .670  .153    9
H6    -.061   .379  .102    6
H7     .050   .570  .088    3
H8     .064   .158  .003   11
H9     .038   .257 -.003    3
H10    .037   .813  .117    7
H11    .098   .877  .160    5
H12    .086   .564  .365    1
H13    .079   .633  .456    5
H14    .211  -.173  .423    5
H15    .277  -.183  .422    2
H16    .142   .785  .277   15
H17    .093   .845  .294    8
H18    .157   .111  .440    3
H19    .174   .241  .409    4
H20    .185   .104  .004    8
H21    .158   .907  .046   14
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Albite
Download hom/albite.pdf
Keefer K D, Brown G E
Download am/vol63/AM63_1264.pdf
American Mineralogist 63 (1978) 1264-1273
Crystal structures and compositions of sanidine and high albite in
cryptoperthitic intergrowth
Note this sample of feldspar is from the
Rabb Canyon pegmatite, Grant County, New Mexico, USA
_database_code_amcsd 0000694
8.144 12.989 7.160 92.10 116.56 90.21 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)
Na   .2690 .0048 .1319 .80  .0101  .0143  .0357  .0009  .0026 -.0113
K    .2690 .0048 .1319 .20  .0101  .0143  .0357  .0009  .0026 -.0113
Si1o .0078 .1694 .2182 .75  .0063  .0030  .0036 -.0002  .0023  .0000
Al1o .0078 .1694 .2182 .25  .0063  .0030  .0036 -.0002  .0023  .0000
Si1m .0057 .8175 .2261 .75  .0059  .0030  .0036  .0006  .0017  .0005
Al1m .0057 .8175 .2261 .25  .0059  .0030  .0036  .0006  .0017  .0005
Si2o .6893 .1104 .3287 .75  .0050  .0029  .0050  .0000  .0012  .0003
Al2o .6893 .1104 .3287 .25  .0050  .0029  .0050  .0000  .0012  .0003
Si2m .6857 .8802 .3484 .75  .0051  .0029  .0045  .0003  .0013  .0003
Al2m .6857 .8802 .3484 .25  .0051  .0029  .0045  .0003  .0013  .0003
Oa1  .0035 .1359 .9914      .0125  .0042  .0088 -.0001  .0059 -.0003
Oa2  .5913 .9943 .2821      .0071  .0035  .0091 -.0002  .0026  .0001
Obo  .8216 .1145 .2108      .0081  .0054  .0154 -.0011  .0074 -.0003
Obm  .8184 .8552 .2378      .0089  .0061  .0122  .0013  .0048 -.0001
Oco  .0152 .2959 .2658      .0090  .0040  .0097 -.0010  .0032 -.0004
Ocm  .0202 .6893 .2329      .0089  .0034  .0096  .0010  .0015  .0006
Odo  .1965 .1168 .3950      .0091  .0040  .0077  .0009  .0018  .0008
Odm  .1918 .8710 .4190      .0100  .0039  .0069 -.0004 -.0010 -.0006
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Sanidine
Download hom/sanidine.pdf
Keefer K D, Brown G E
Download am/vol63/AM63_1264.pdf
American Mineralogist 63 (1978) 1264-1273
Crystal structure and composition of sanidine and high albite in cryptoperthitic
intergrowth
Note this sample of feldspar is from the
Rabb Canyon pegmatite, Grant County, New Mexico, USA
_database_code_amcsd 0000695
8.558 12.997 7.179 90 116.07 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)
K    .2844     0 .1383 .65  .0051  .0045  .0118      0  .0023      0
Na   .2844     0 .1383 .35  .0051  .0045  .0118      0  .0023      0
Si1  .0091 .1834 .2236 .75  .0049  .0019  .0035 -.0004  .0022 -.0002
Al1  .0091 .1834 .2236 .25  .0049  .0019  .0035 -.0004  .0022 -.0002
Si2  .7069 .1177 .3431 .75  .0046  .0014  .0045 -.0001  .0020      0
Al2  .7069 .1177 .3431 .25  .0046  .0014  .0045 -.0001  .0020      0
Oa1      0 .1443     0      .0104  .0031  .0076      0  .0050      0
Oa2  .6308     0 .2832      .0087  .0019  .0113      0  .0021      0
Ob   .8270 .1448 .2255      .0078  .0044  .0120 -.0009  .0058  .0005
Oc   .0327 .3092 .2568      .0071  .0025  .0098 -.0005  .0030 -.0006
Od   .1814 .1256 .4049      .0080  .0028  .0063  .0002  .0013  .0002
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Cordierite
Download hom/cordierite.pdf
Hochella M F, Brown G E, Ross F K, Gibbs G V
Download am/vol64/AM64_337.pdf
American Mineralogist 64 (1979) 337-351
High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
White Well, T = 375 C
_database_code_amcsd 0000706
17.113 9.741 9.358 90 90 90 Cccm
atom      x     y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg    .1622    .5   .25 .955 .00075 .00259 .00436       0       0  .00010
Fe    .1622    .5   .25 .045 .00075 .00259 .00436       0       0  .00010
Al11    .25   .25 .2500      .00093 .00224 .00272  .00022       0       0
Si16      0    .5   .25      .00060 .00245 .00228       0       0       0
Si21  .1920 .0783     0      .00060 .00155 .00239  .00011       0       0
Al26  .0506 .3076     0      .00062 .00220 .00268  .00021       0       0
Si23 -.1351 .2369     0      .00057 .00176 .00247 -.00014       0       0
O11   .2470 .1036 .1407      .00137 .00277 .00308  .00024 -.00040 -.00068
O16   .0620 .4166 .1512      .00090 .00376 .00331  .00024 -.00016 -.00150
O13  -.1736 .3090 .1418      .00111 .00342 .00285 -.00026  .00036 -.00090
O21   .1220 .1846     0      .00135 .00368 .00718  .00133       0       0
O26  -.0434 .2478     0      .00069 .00594 .00711 -.00031       0       0
O23  -.1641 .0793     0      .00163 .00189 .00779 -.00076       0       0
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Cordierite
Download hom/cordierite.pdf
Hochella M F, Brown G E, Ross F K, Gibbs G V
Download am/vol64/AM64_337.pdf
American Mineralogist 64 (1979) 337-351
High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
White Well, T = 775 C
_database_code_amcsd 0000707
17.149 9.759 9.352 90 90 90 Cccm
atom      x     y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg    .1626    .5   .25 .955 .00109 .00385 .00655       0       0  .00030
Fe    .1626    .5   .25 .045 .00109 .00385 .00655       0       0  .00030
Al11    .25   .25   .25      .00125 .00363 .00429  .00035       0       0
Si16      0    .5   .25      .00088 .00352 .00342       0       0       0
Si21  .1917 .0785     0      .00087 .00240 .00373  .00013       0       0
Al26  .0500 .3070     0      .00091 .00335 .00382  .00027       0       0
Si23 -.1347 .2363     0      .00086 .00273 .00340 -.00040       0       0
O11   .2468 .1042 .1398      .00217 .00414 .00450  .00016 -.00122 -.00095
O16   .0619 .4159 .1510      .00122 .00550 .00545  .00023 -.00073 -.00234
O13  -.1734 .3082 .1422      .00179 .00501 .00549 -.00055  .00095 -.00140
O21   .1216 .1843     0      .00165 .00615 .01206  .00217       0       0
O26  -.0438 .2484     0      .00122 .00883 .00875 -.00014       0       0
O23  -.1630 .0778     0      .00243 .00298 .00850 -.00155       0       0
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Cordierite
Download hom/cordierite.pdf
Hochella M F, Brown G E, Ross F K, Gibbs G V
Download am/vol64/AM64_337.pdf
American Mineralogist 64 (1979) 337-351
High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
White Well, T = 24 C afer heating.
_database_code_amcsd 0000708
17.119 9.746 9.361 90 90 90 Cccm
atom      x     y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg    .1624    .5   .25 .955 .00044 .00122 .00225       0       0       0
Fe    .1624    .5   .25 .045 .00044 .00122 .00225       0       0       0
Al11    .25   .25 .2502      .00051 .00106 .00174  .00015       0       0
Si16      0    .5   .25      .00033 .00170 .00135       0       0       0
Si21  .1924 .0778     0      .00032 .00091 .00167  .00001       0       0
Al26  .0508 .3079     0      .00032 .00124 .00153  .00005       0       0
Si23 -.1352 .2374     0      .00023 .00133 .00141 -.00013       0       0
O11   .2473 .1034 .1409      .00066 .00282 .00153  .00003 -.00031 -.00011
O16   .0623 .4166 .1513      .00057 .00215 .00198 -.00003 -.00010 -.00072
O13  -.1733 .3102 .1414      .00060 .00174 .00209 -.00020  .00021 -.00039
O21   .1222 .1844     0      .00073 .00178 .00401  .00061       0       0
O26  -.0432 .2487     0      .00058 .00261 .00360 -.00033       0       0
O23  -.1646 .0803     0      .00088 .00140 .00412 -.00002       0       0
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Sekaninaite
Download hom/sekaninaite.pdf
Hochella M F, Brown G E, Ross F K, Gibbs G V
Download am/vol64/AM64_337.pdf
American Mineralogist 64 (1979) 337-351
High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
Dolni Bory, T = 24 C
_database_code_amcsd 0000709
17.230 9.835 9.314 90 90 90 Cccm
atom      x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg    .1632    .5   .25 .17 .00047 .00119 .00162       0       0  .00012
Fe    .1632    .5   .25 .83 .00047 .00119 .00162       0       0  .00012
Al11    .25   .25 .2502     .00041 .00104 .00064  .00014       0       0
Si16      0    .5   .25     .00031 .00122 .00044       0       0       0
Si21  .1901 .0794     0     .00037 .00038 .00064  .00012       0       0
Al26  .0501 .3076     0     .00033 .00064 .00069  .00013       0       0
Si23 -.1347 .2343     0     .00034 .00043 .00073 -.00022       0       0
O11   .2442 .1052 .1415     .00069 .00129 .00093 -.00015 -.00044 -.00034
O16   .0611 .4144 .1522     .00070 .00207 .00134  .00030  .00023 -.00058
O13  -.1729 .3053 .1428     .00080 .00186 .00094 -.00021  .00003 -.00084
O21   .1188 .1822     0     .00072 .00176 .00404  .00066       0       0
O26  -.0435 .2449     0     .00040 .00363 .00494 -.00016       0       0
O23  -.1615 .0778     0     .00090 .00101 .00382  .00007       0       0
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Sekaninaite
Download hom/sekaninaite.pdf
Hochella M F, Brown G E, Ross F K, Gibbs G V
Download am/vol64/AM64_337.pdf
American Mineralogist 64 (1979) 337-351
High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
Dolni Bory, T = 375 C
_database_code_amcsd 0000710
17.258 9.847 9.328 90 90 90 Cccm
atom      x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg    .1632    .5   .25 .17 .00080 .00256 .00402       0       0  .00010
Fe    .1632    .5   .25 .83 .00080 .00256 .00402       0       0  .00010
Al11    .25   .25 .2501     .00094 .00208 .00104  .00038       0       0
Si16      0    .5   .25     .00017 .00219 .00144       0       0       0
Si21  .1894 .0795     0     .00065 .00144 .00117  .00004       0       0
Al26  .0499 .3077     0     .00043 .00162 .00208  .00039       0       0
Si23 -.1350 .2344     0     .00059 .00151 .00140 -.00012       0       0
O11   .2438 .1049 .1412     .00101 .00269 .00269  .00018 -.00080 -.00040
O16   .0609 .4151 .1509     .00095 .00324 .00285  .00023 -.00018 -.00131
O13  -.1729 .3049 .1427     .00065 .00454 .00254 -.00045  .00046 -.00025
O21   .1200 .1833     0     .00137 .00270 .00702  .00109       0       0
O26  -.0434 .2462     0     .00056 .00579 .00607 -.00107       0       0
O23  -.1607 .0766     0     .00190 .00115 .00621 -.00069       0       0
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Rasvumite
Download hom/rasvumite.pdf
Clark J R, Brown G E
Download am/vol65/AM65_477.pdf
American Mineralogist 65 (1980) 477-482
Crystal structure of rasvumite, KFe2S3
_database_code_amcsd 0000782
9.049 11.019 5.431 90 90 90 Cmcm
atom     x     y   z Biso
K       .5 .1699 .25 2.33
Fe   .3502    .5   0 1.18
S1      .5 .6191 .25 1.16
S2   .2174 .3859 .25 1.74
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Albite
Download hom/albite.pdf
Harlow G E, Brown G E
Download am/vol65/AM65_986.pdf
American Mineralogist 65 (1980) 986-995
Low albite: An X-Ray and neutron diffraction study
Sample: X-ray single Na atom
Note: this sample of feldspar is from Amelia, Virginia
_database_code_amcsd 0000797
8.142 12.785 7.159 94.19 116.61 87.68 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)
Al1o .00878 .16864 .20805 .970 0.00333 0.00070 0.00263 -.00020 0.00128 0.00002
Si1o .00878 .16864 .20805 .030 0.00333 0.00070 0.00263 -.00020 0.00128 0.00002
Si1m .00382 .82064 .23734 .965 0.00277 0.00056 0.00219 0.00021 0.00114 0.00013
Al1m .00382 .82064 .23734 .035 0.00277 0.00056 0.00219 0.00021 0.00114 0.00013
Si2o .69210 .11040 .31507      0.00246 0.00046 0.00306 -.00002 0.00090 0.00000
Si2m .68175 .88189 .36071      0.00250 0.00049 0.00318 0.00011 0.00116 0.00015
Na1  .26839 .98867 .14628 .986 0.00620 0.00524 0.01468 -.00080 0.00356 -.00516
Oa1  .00481 .12120 .96610      0.00716 0.00121 0.00333 0.00027 0.00296 0.00023
Oa2  .59166 .99766 .27967      0.00336 0.00069 0.00585 -.00004 0.00127 0.00028
Obo  .81285 .11039 .19124      0.00518 0.00146 0.00788 -.00067 0.00406 -.00031
Obm  .82061 .85121 .25942      0.00593 0.00174 0.01051 0.00097 0.00531 0.00028
Oco  .01348 .30276 .27023      0.00523 0.00082 0.00661 -.00025 0.00217 -.00027
Ocm  .02402 .69390 .22938      0.00485 0.00082 0.00672 0.00048 0.00128 0.00014
Odo  .20765 .10922 .38898      0.00564 0.00145 0.00403 0.00066 0.00055 0.00047
Odm  .18316 .86825 .43555      0.00634 0.00152 0.00436 -.00040 -.00002 -.00026
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Albite
Download hom/albite.pdf
Harlow G E, Brown G E
Download am/vol65/AM65_986.pdf
American Mineralogist 65 (1980) 986-995
Low albite: An X-Ray and neutron diffraction study
Sample: X-ray split Na site
Note: this sample of feldspar is from Amelia, Virginia
_database_code_amcsd 0000798
8.142 12.785 7.159 94.19 116.61 87.68 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)
Al1o .00878 .16864 .20805 .970 0.00333 0.00070 0.00263 -.00020 0.00128 0.00002
Si1o .00878 .16864 .20805 .030 0.00333 0.00070 0.00263 -.00020 0.00128 0.00002
Si1m .00382 .82064 .23734 .965 0.00277 0.00056 0.00219 0.00021 0.00114 0.00013
Al1m .00382 .82064 .23734 .035 0.00277 0.00056 0.00219 0.00021 0.00114 0.00013
Si2o .69210 .11040 .31507      0.00246 0.00046 0.00306 -.00002 0.00090 0.00000
Si2m .68175 .88189 .36071      0.00250 0.00049 0.00318 0.00011 0.00116 0.00015
Na2  .27033 .97800 .16219
Na3  .26617 .00103 .12793
Oa1  .00481 .12120 .96610      0.00716 0.00121 0.00333 0.00027 0.00296 0.00023
Oa2  .59166 .99766 .27967      0.00336 0.00069 0.00585 -.00004 0.00127 0.00028
Obo  .81285 .11039 .19124      0.00518 0.00146 0.00788 -.00067 0.00406 -.00031
Obm  .82061 .85121 .25942      0.00593 0.00174 0.01051 0.00097 0.00531 0.00028
Oco  .01348 .30276 .27023      0.00523 0.00082 0.00661 -.00025 0.00217 -.00027
Ocm  .02402 .69390 .22938      0.00485 0.00082 0.00672 0.00048 0.00128 0.00014
Odo  .20765 .10922 .38898      0.00564 0.00145 0.00403 0.00066 0.00055 0.00047
Odm  .18316 .86825 .43555      0.00634 0.00152 0.00436 -.00040 -.00002 -.00026
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Albite
Download hom/albite.pdf
Harlow G E, Brown G E
Download am/vol65/AM65_986.pdf
American Mineralogist 65 (1980) 986-995
Low albite: An X-Ray and neutron diffraction study
Sample: neutron single Na atom
Note: this sample of feldspar is from Amelia, Virginia
_database_code_amcsd 0000799
8.142 12.785 7.159 94.19 116.61 87.68 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)
Al1o .00901 .16862 .20806 .970 0.00326 0.00098 0.00314 -.00029 0.00163 0.00010
Si1o .00901 .16862 .20806 .030 0.00326 0.00098 0.00314 -.00029 0.00163 0.00010
Si1m .00386 .82062 .23728 .965 0.00266 0.00087 0.00278 0.00015 0.00147 0.00014
Al1m .00386 .82062 .23728 .035 0.00266 0.00087 0.00278 0.00015 0.00147 0.00014
Si2o .69209 .11036 .31508      0.00259 0.00073 0.00381 -.00012 0.00143 0.00019
Si2m .68152 .88195 .36078      0.00228 0.00079 0.00380 0.00005 0.00138 0.00025
Na1  .26849 .98870 .14672 .986 0.00580 0.00591 0.01548 -.00100 0.00400 -.00515
Oa1  .00490 .12115 .96638      0.00641 0.00159 0.00368 -.00011 0.00304 0.00037
Oa2  .59229 .99755 .28053      0.00311 0.00078 0.00581 -.00005 0.00165 0.00043
Obo  .81231 .11013 .19056      0.00461 0.00174 0.00805 -.00092 0.00419 -.00029
Obm  .82027 .85114 .25876      0.00542 0.00233 0.01076 0.00089 0.00582 0.00040
Oco  .01342 .30252 .27026      0.00404 0.00098 0.00754 -.00057 0.00237 -.00020
Ocm  .02398 .69389 .22991      0.00421 0.00092 0.00701 0.00039 0.00167 0.00033
Odo  .20770 .10901 .38910      0.00476 0.00175 0.00409 0.00039 0.00084 0.00044
Odm  .18364 .86819 .43609      0.00542 0.00180 0.00431 -.00055 0.00012 -.00015
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Albite
Download hom/albite.pdf
Harlow G E, Brown G E
Download am/vol65/AM65_986.pdf
American Mineralogist 65 (1980) 986-995
Low albite: An X-Ray and neutron diffraction study
Sample: neutron split Na site
Note: this sample of feldspar is from Amelia, Virginia
_database_code_amcsd 0000800
8.142 12.785 7.159 94.19 116.61 87.68 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)
Al1o .00901 .16862 .20806 .970 0.00326 0.00098 0.00314 -.00029 0.00163 0.00010
Si1o .00901 .16862 .20806 .030 0.00326 0.00098 0.00314 -.00029 0.00163 0.00010
Si1m .00386 .82062 .23728 .965 0.00266 0.00087 0.00278 0.00015 0.00147 0.00014
Al1m .00386 .82062 .23728 .035 0.00266 0.00087 0.00278 0.00015 0.00147 0.00014
Si2o .69209 .11036 .31508      0.00259 0.00073 0.00381 -.00012 0.00143 0.00019
Si2m .68152 .88195 .36078      0.00228 0.00079 0.00380 0.00005 0.00138 0.00025
Na2  .27098 .97765 .16218
Na3  .26561 .00168 .12859
Oa1  .00490 .12115 .96638      0.00641 0.00159 0.00368 -.00011 0.00304 0.00037
Oa2  .59229 .99755 .28053      0.00311 0.00078 0.00581 -.00005 0.00165 0.00043
Obo  .81231 .11013 .19056      0.00461 0.00174 0.00805 -.00092 0.00419 -.00029
Obm  .82027 .85114 .25876      0.00542 0.00233 0.01076 0.00089 0.00582 0.00040
Oco  .01342 .30252 .27026      0.00404 0.00098 0.00754 -.00057 0.00237 -.00020
Ocm  .02398 .69389 .22991      0.00421 0.00092 0.00701 0.00039 0.00167 0.00033
Odo  .20770 .10901 .38910      0.00476 0.00175 0.00409 0.00039 0.00084 0.00044
Odm  .18364 .86819 .43609      0.00542 0.00180 0.00431 -.00055 0.00012 -.00015
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Beryl
Download hom/beryl.pdf
Brown G E, Mills B A
Download am/vol71/AM71_547.pdf
American Mineralogist 71 (1986) 547-556
High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
from the Harding pegmatite, Taos County, New Mexico
Sample: T = 24 deg C, before heating
O2x has been corrected
_database_code_amcsd 0001011
9.236 9.236 9.246 90 90 120 P6/mcc
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Be2      .5     0   .25 .86  .0033  .0025  .0031 .00125      0      0
Li2      .5     0   .25 .13  .0033  .0025  .0031 .00125      0      0
Al2      .5     0   .25 .01  .0033  .0025  .0031 .00125      0      0
Al      2/3   1/3   .25      .0015  .0015  .0012 .00075      0      0
Si1   .3893 .1189     0 .98  .0011  .0014  .0013  .0007      0      0
Al1   .3893 .1189     0 .02  .0011  .0014  .0013  .0007      0      0
O1    .3057  .235     0      .0039  .0031  .0047  .0027      0      0
O2    .4985 .1468 .1445      .0034  .0041  .0025  .0024 -.0018 -.0012
WatC1     0     0   .25 .55  .0068  .0068  .0043  .0034      0      0
CsC1      0     0   .25 .09  .0068  .0068  .0043  .0034      0      0
KC1       0     0   .25 .05  .0068  .0068  .0043  .0034      0      0
NaC2      0     0     0 .21  .0005  .0005  .0096 .00025      0      0
CaC2      0     0     0 .02  .0005  .0005  .0096 .00025      0      0
MgC2      0     0     0 .02  .0005  .0005  .0096 .00025      0      0
FeC2      0     0     0 .01  .0005  .0005  .0096 .00025      0      0
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Beryl
Download hom/beryl.pdf
Brown G E, Mills B A
Download am/vol71/AM71_547.pdf
American Mineralogist 71 (1986) 547-556
High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
from the Harding pegmatite, Taos County, New Mexico
Sample: T = 500 deg C
_database_code_amcsd 0001012
9.251 9.251 9.260 90 90 120 P6/mcc
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Be2      .5     0   .25 .86  .0018  .0198  .0035  .0099      0      0
Li2      .5     0   .25 .13  .0018  .0198  .0035  .0099      0      0
Al2      .5     0   .25 .01  .0018  .0198  .0035  .0099      0      0
Al      2/3   1/3   .25      .0041  .0041  .0031 .00205      0      0
Si1   .3892 .1194     0 .98  .0019  .0025  .0025  .0012      0      0
Al1   .3892 .1194     0 .02  .0019  .0025  .0025  .0012      0      0
O1    .3039 .2340     0      .0068  .0039  .0102  .0045      0      0
O2    .4966 .1456 .1436      .0056  .0068  .0043  .0048 -.0015 -.0004
WatC1     0     0   .25 .55  .0133  .0133  .0080 .00665      0      0
CsC1      0     0   .25 .09  .0133  .0133  .0080 .00665      0      0
KC1       0     0   .25 .05  .0133  .0133  .0080 .00665      0      0
NaC2      0     0     0 .21  .0083  .0083  .0034 .00415      0      0
CaC2      0     0     0 .02  .0083  .0083  .0034 .00415      0      0
MgC2      0     0     0 .02  .0083  .0083  .0034 .00415      0      0
FeC2      0     0     0 .01  .0083  .0083  .0034 .00415      0      0
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Beryl
Download hom/beryl.pdf
Brown G E, Mills B A
Download am/vol71/AM71_547.pdf
American Mineralogist 71 (1986) 547-556
High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
from the Harding pegmatite, Taos County, New Mexico
Sample: T = 800 deg C
_database_code_amcsd 0001013
9.259 9.259 9.264 90 90 120 P6/mcc
atom      x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Be2      .5     0   .25 .86  .0064  .0025  .0062 -.00125      0      0
Li2      .5     0   .25 .13  .0064  .0025  .0062 -.00125      0      0
Al2      .5     0   .25 .01  .0064  .0025  .0062 -.00125      0      0
Al      2/3   1/3   .25      .0046  .0046  .0027   .0023      0      0
Si1   .3886 .1183     0 .98  .0032  .0038  .0027   .0018      0      0
Al1   .3886 .1183     0 .02  .0032  .0038  .0027   .0018      0      0
O1    .3042 .2336     0      .0079  .0041  .0090   .0042      0      0
O2    .4974 .1465 .1438      .0083  .0056  .0048   .0036 -.0039 -.0013
WatC1     0     0   .25 .55  .0272  .0272  .0106   .0136      0      0
CsC1      0     0   .25 .09  .0272  .0272  .0106   .0136      0      0
KC1       0     0   .25 .05  .0272  .0272  .0106   .0136      0      0
NaC2      0     0     0 .21  .0002  .0002  .0293   .0001      0      0
CaC2      0     0     0 .02  .0002  .0002  .0293   .0001      0      0
MgC2      0     0     0 .02  .0002  .0002  .0293   .0001      0      0
FeC2      0     0     0 .01  .0002  .0002  .0293   .0001      0      0
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Beryl
Download hom/beryl.pdf
Brown G E, Mills B A
Download am/vol71/AM71_547.pdf
American Mineralogist 71 (1986) 547-556
High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
from the Harding pegmatite, Taos County, New Mexico
Sample: T = 24 deg C, after heating
_database_code_amcsd 0001014
9.233 9.233 9.243 90 90 120 P6/mcc
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Be2      .5     0   .25 .86  .0021  .0026  .0018  .0013      0      0
Li2      .5     0   .25 .13  .0021  .0026  .0018  .0013      0      0
Al2      .5     0   .25 .01  .0021  .0026  .0018  .0013      0      0
Al      2/3   1/3   .25      .0017  .0017  .0017 .00085      0      0
Si1   .3891 .1186     0 .98  .0013  .0012  .0014  .0006      0      0
Al1   .3891 .1186     0 .02  .0013  .0012  .0014  .0006      0      0
O1    .3055 .2351     0      .0028  .0022  .0051  .0018      0      0
O2    .4982 .1468 .1447      .0038  .0040  .0026  .0024 -.0018 -.0014
WatC1     0     0   .25 .55  .0067  .0067  .0052 .00335      0      0
CsC1      0     0   .25 .09  .0067  .0067  .0052 .00335      0      0
KC1       0     0   .25 .05  .0067  .0067  .0052 .00335      0      0
NaC2      0     0     0 .21  .0059  .0059  .0029 .00295      0      0
CaC2      0     0     0 .02  .0059  .0059  .0029 .00295      0      0
MgC2      0     0     0 .02  .0059  .0059  .0029 .00295      0      0
FeC2      0     0     0 .01  .0059  .0050  .0029 .00295      0      0
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H15 O46 P W12
 
Brown G, Noe-Spirlet M, Busing W, Levy H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=1038
Acta Crystallographica B33 (1977) 1038-1046
Dodecatungstophosphoric acid hexahydrate, (H5 O2)3 (P W12 O40),
the true structure of Keggin's 'pentahydrate' from single
crystal X-ray and neutron diffraction data
_cod_database_code 1008010
_database_code_amcsd 0015958
12.506 12.506 12.506 90 90 90 *Pn3m
.25 .25 .25
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P1      .75    .75    .75      .0115  .0115  .0115      0      0      0
W1   .75822 .95688 .95688      .0207  .0173  .0173 -.0002 -.0002 -.0058
O1   .82273 .82273 .82273      .0155  .0155  .0155  -.001  -.001  -.001
O2   .65683 .84317 .99316      .0228  .0228  .0189 -.0023  .0009 -.0009
O3   .87155 .87155 .02447      .0249  .0249  .0178  .0004 -.0036 -.0036
O4   .73276 .05441 .05441      .0375  .0285  .0285  .0013  .0013 -.0149
O5      .75 .15248    .25  .5  .0844  .0337  .0232      0 -.0008      0
H1   .74525 .11259 .18288  .5  .0678  .0511  .0385  .0014   .001 -.0081
H2      .75    .25    .25      .0449  .0442  .0442      0      0      0
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H15 O46 P W12
 
Brown G, Noe-Spirlet M, Busing W, Levy H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=1038
Acta Crystallographica B33 (1977) 1038-1046
Dodecatungstophosphoric acid hexahydrate, (H5 O2)3 (P W12 O40),
the true structure of Keggin's 'pentahydrate' from single
crystal X-ray and neutron diffraction data
_cod_database_code 1008011
_database_code_amcsd 0015959
12.506 12.506 12.506 90 90 90 *Pn3m
.25 .25 .25
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P1      .75    .75    .75      .0137  .0137  .0137      0      0      0
W1   .75821 .95680 .95680        .02   .017   .017   .000   .000 -.0058
O1   .82252 .82252 .82252       .018   .018   .018 -.0013 -.0013 -.0013
O2   .65617 .84383 .99326      .0163  .0163  .0192  -.006  .0003 -.0003
O3   .87223 .87223 .02398      .0199  .0199  .0175  .0047 -.0087 -.0087
O4   .73311 .05452 .05452      .0327  .0315  .0315 -.0015 -.0015 -.0158
O5      .75 .15472    .25  .5    .12  .0552  .0371      0 -.0124      0
H1   .74503 .10148   .191  .5  .0708  .0708  .0708      0      0      0
H2      .75    .25    .25      .0552  .0552  .0552      0      0      0
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Chrysoberyl
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Bragg W, Brown G
 
Zeitschrift fur Kristallographie 63 (1926) 122-143
Die Kristallstruktur von Crysoberyll (Be Al2 O4).
_cod_database_code 1011197
_database_code_amcsd 0018068
4.42 9.39 5.47 90 90 90 Pbnm
atom   x    y   z
Be1  .37 .083 .25
Al1    0    0   0
Al2    0 .278 .25
O1   .75 .083 .25
O2   .25 .417 .25
O3   .25 .167   0
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Forsterite
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Bragg W, Brown G
 
Zeitschrift fur Kristallographie 63 (1926) 538-556
Die Struktur des Olivins.
_cod_database_code 1010497
_database_code_amcsd 0017413
4.755 10.21 5.985 90 90 90 Pbnm
atom    x   y   z occ
Mg1     0   0   0  .9
Fe1     0   0   0  .1
Mg2     0 .28 .25  .9
Fe2     0 .28 .25  .1
Si1    .4  .1 .25
O1   -.25 .08 .25
O2    .25 .42 .25
O3    .25 .17   0
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Monticellite
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Brown G, West J
 
Zeitschrift fur Kristallographie 66 (1927) 154-161
The structure of monticellite (Mg Ca Si O4).
_cod_database_code 1011202
_database_code_amcsd 0018072
4.815 11.08 6.37 90 90 90 Pbnm
atom     x    y   z
Mg1      0    0   0
Ca1  -.017 .257 .25
Si1   .403 .086 .25
O1   -.236 .067 .25
O2    .264 .464 .25
O3     .25 .153 .03
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Orthoclase
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Fenn P M, Brown G E
 
Zeitschrift fur Kristallographie 145 (1977) 124-145
Crystal structure of a synthetic, compositionally intermediate,
hypersolvus alkali feldspar: evidence for Na, K site ordering
Locality: Synthetic
_database_code_amcsd 0020553
8.434 13.015 7.1717 90 116.09 90 C-1
atom     x      y      z occ Biso
K1   .2787      0  .1357 .50 1.79
K2   .2880 -.0012  .1416 .08  9.4
Na1  .2880 -.0012  .1416 .42  9.4
Si1  .0086  .1816  .2237 .71 1.28
Al1  .0086  .1816  .2237 .29 1.28
Si2  .0083  .8183  .2235 .72 1.26
Al2  .0083  .8183  .2235 .28 1.26
Si3  .7019  .1170  .3430 .78 1.23
Al3  .7019  .1170  .3430 .22 1.23
Si4  .7020  .8828  .3430 .78 1.22
Al4  .7020  .8828  .3430 .22 1.22
O1       0  .1426 -.0002     2.00
O2   .6184  .0002  .2842     1.97
O3   .8262  .1411  .2268     2.06
O4   .8266  .8588  .2275     1.99
O5   .0291  .3081  .2554     1.78
O6   .0289  .6922  .2559     1.80
O7   .1847  .1261  .4042     1.85
O8   .1845  .8743  .4041     1.86
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Sanidine
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Brown G E, Hamilton W C, Prewitt C T, Sueno S
 
The Feldspars: Proceedings of a NATO Advanced Study Institute  (1974) 68-80
Neutron diffraction study of Al/Si ordering in sanidine: a comparison with
X-ray diffraction data
Locality: Laacher See, Eifel District, Germany
_database_code_amcsd 0020556
8.539 13.015 7.179 90 115.99 90 C2/m
atom      x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KM    .2837     0 .1369  .85 2.10  .0062  .0050  .0156      0  .0030      0
NaM   .2837     0 .1369  .15 2.10  .0062  .0050  .0156      0  .0030      0
SiT1s .0097 .1843 .2238 .685  .70  .0032  .0014  .0033 -.0004  .0014 -.0001
AlT1a .0097 .1843 .2238 .315  .70  .0032  .0014  .0033 -.0004  .0014 -.0001
SiT2s .7075 .1178 .3442 .815  .63  .0033  .0010  .0041 -.0001  .0012  .0000
AlT2a .7075 .1178 .3442 .185  .63  .0033  .0010  .0041 -.0001  .0012  .0000
Oa1       0 .1459     0      1.53  .0082  .0023  .0072      0  .0040      0
Oa2   .6334     0 .2848      1.36  .0064  .0014  .0097      0  .0013      0
Ob    .8277 .1452 .2264      1.91  .0063  .0036  .0124 -.0009  .0056  .0001
Oc    .0335 .3100 .2575      1.34  .0051  .0018  .0098 -.0004  .0020 -.0005
Od    .1813 .1262 .4044      1.46  .0063  .0024  .0051  .0005  .0008  .0003
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