American Mineralogist Crystal Structure Database

24 matching records for this search.

Murdochite
Download hom/murdochite.pdf
Christ C L, Clark J R
Download am/vol40/AM40_907.pdf
American Mineralogist 40 (1955) 907-916
The crystal structure of murdochite
disordered model
_database_code_amcsd 0000075
9.210 9.210 9.210 90 90 90 Fm3m
atom   x   y   z  occ
Pb     0   0   0
Cu1   .5  .5  .5 .857
Cu2    0 .25 .25 .857
O1   .25 .25 .25
O2   .25   0   0
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Murdochite
Download hom/murdochite.pdf
Christ C L, Clark J R
Download am/vol40/AM40_907.pdf
American Mineralogist 40 (1955) 907-916
The crystal structure of murdochite
ordered model
_database_code_amcsd 0000076
9.210 9.210 9.210 90 90 90 Fm-3m
atom   x   y   z
Pb     0   0   0
Cu     0 .25 .25
O1   .25 .25 .25
O2   .25   0   0
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Tunellite
Download hom/tunellite.pdf
Clark J R
Download am/vol49/AM49_1549.pdf
American Mineralogist 49 (1964) 1549-1568
The crystal structure of tunellite, SrB6O9(OH)2.3H2O
Locality: Jenifer mine, Kramer borate district, California, USA
_database_code_amcsd 0000129
14.390 8.213 9.934 90 114.03 90 P2_1/a
atom      x     y     z Biso
Sr    .1621 .0562 .1949 1.23
B1    .1941 .1509 .8490 1.31
B2    .1940 .1561 .5854  .88
B3    .0429 .2475 .6248 1.24
B4    .1867 .4550 .2202  .75
B5    .2534 .3889 .4865 1.27
B6    .2513 .3883 .0221 1.20
O1    .1944 .0254 .9525 1.67
O2    .2028 .0376 .4823 1.83
OH3   .0501 .6806 .4257 1.99
Wat4  .9982 .1682 .2383 2.44
OH5   .0905 .5360 .1721 2.10
O6    .2417 .7988 .3989 1.46
O7    .2079 .3413 .3396 1.56
O8    .2382 .7853 .0815 1.53
O9    .1941 .3498 .1011 1.47
O10   .0889 .2117 .7728 1.28
O11   .0871 .2102 .5344 1.23
Wat12 .0208 .8401 .0676 1.59
Wat13 .1392 .5802 .7117 2.01
O14   .2272 .0828 .7338 1.06
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Reedmergnerite
Download hom/reedmergnerite.pdf
Appleman D E, Clark J R
Download am/vol50/AM50_1827.pdf
American Mineralogist 50 (1965) 1827-1850
Crystal structure of reedmergnerite, a boron albite, and its relation to
feldspar crystal chemistry
_database_code_amcsd 0000139
7.833 12.360 6.803 93.308 116.352 92.055 C-1
atom     x     y     z Biso
Na   .2586 .0075 .1332 1.22
B1o  .0127 .1617 .2217  .38
Si1m .0059 .8100 .2097  .28
Si2o .7029 .1015 .3204  .31
Si2m .6847 .8644 .3547  .31
OA1  .0076 .1364 .0040  .56
OA2  .5929 .9812 .2758  .55
OBo  .8455 .0995 .2126  .70
OBm  .8163 .8347 .2335  .71
OCo  .0064 .2762 .2725  .66
OCm  .0289 .6799 .2070  .74
ODo  .1900 .1200 .3815  .66
ODm  .1922 .8682 .4172  .63
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Omphacite
Download hom/omphacite.pdf
Clark J R, Papike J J
Download am/vol53/AM53_840.pdf
American Mineralogist 53 (1968) 840-868
Crystal-chemical characterization of omphacites
_database_code_amcsd 0000175
9.596 8.771 5.265 90 106.93 90 P2
atom      x     y     z occ Biso
Si1A  .2890 .0972 .9774      .17
Si2A  .2881 .9135 .4820      .17
Si1C  .2137 .5880 .0196      .17
Si2C  .2103 .4027 .5232      .17
Mg1       0 .9122     0 .81   .2
Fe1       0 .9122     0 .19   .2
Al11      0 .1002    .5 .95   .3
Fe11      0 .1002    .5 .05   .3
Al1H     .5 .4045     0 .82   .3
Fe1H     .5 .4045     0 .18   .3
Mg11H    .5 .5957    .5 .80   .2
Fe11H    .5 .5957    .5 .20   .2
Na2       0 .3036     0 .64   .8
Ca2       0 .3036     0 .36   .8
Na21      0 .7017    .5 .36   .7
Ca21      0 .7017    .5 .64   .7
Na2H     .5 .8009     0 .03   .8
Ca2H     .5 .8009     0 .97   .8
Na21H    .5 .1996    .5 .64   .8
Ca21H    .5 .1996    .5 .36   .8
O11A   .112  .088  .864       .4
O12A   .110  .922  .405       .4
O11C   .386  .567  .103       .4
O12C   .385  .411  .620       .4
O21A   .364  .263  .066       .4
O22A   .347  .747  .551       .4
O21C   .133  .749  .939       .4
O22C   .135  .244  .446       .4
O31A   .360  .022  .757       .4
O32A   .350  .994  .252       .4
O31C   .154  .515  .255       .4
O32C   .147  .489  .750       .4
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Glaucophane
Download hom/glaucophane.pdf
Papike J J, Clark J R
Download am/vol53/AM53_1156.pdf
American Mineralogist 53 (1968) 1156-1173
The crystal structure and cation distribution of glaucophane
_database_code_amcsd 0000182
9.541 17.740 5.295 90 103.67 90 C2/m
atom     x     y     z occ Biso
Mg1      0 .0908    .5 .84  .38
Fe1      0 .0908    .5 .16  .38
Al2      0 .1807     0 .91  .26
Fe2      0 .1807     0 .09  .26
Mg3      0     0     0 .71  .24
Fe3      0     0     0 .29  .24
Na4      0 .2772    .5 .98  .80
Ca4      0 .2772    .5 .02  .80
Si1  .2831 .0871 .2931      .31
Si2  .2920 .1730 .8087      .29
O1   .1092 .0927 .2037      .50
O2   .1177 .1714 .7480      .50
OH3  .1126     0 .7088      .65
O4   .3679 .2529 .8058      .61
O5   .3548 .1318 .0893      .64
O6   .3407 .1224 .5814      .68
O7   .3317     0 .3018      .66
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Howlite
Download hom/howlite.pdf
Finney J J, Kumbasar I, Konnert J A, Clark J R
Download am/vol55/AM55_716.pdf
American Mineralogist 55 (1970) 716-728
Crystal structure of the calcium silicoborate, howlite
_database_code_amcsd 0000202
12.78 9.33 8.60 90 104.83 90 P2_1/c
atom     x     y     z Biso
Ca1  .1171 .1838 .1493   .8
Ca2  .4118 .8216 .5228   .7
Si   .1411 .5549 .0115   .7
B1    .039  .471  .257  1.2
B2    .323  .384  .033  1.0
B3    .492  .423  .256  1.4
B4    .343  .261  .284  1.1
B5    .157  .650  .476  1.3
O1    .081  .512 -.174   .9
O2    .127  .723  .047  1.4
O3    .102  .450  .137   .8
O4    .269  .525  .030   .9
O5    .061  .597  .355   .5
O6    .438  .407  .078  1.1
O7    .292  .171  .364   .8
O8    .287  .282  .130  1.0
O9    .438  .333  .352   .8
OH10  .497  .570  .294  1.1
OH11  .601  .356  .272   .9
OH12  .246  .685  .398  1.0
OH13  .197  .542  .599   .8
OH14  .055  .338  .351   .5
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Strontioginorite
Download hom/strontioginorite.pdf
Konnert J A, Clark J R, Christ C L
Download am/vol55/AM55_1911.pdf
American Mineralogist 55 (1970) 1911-1931
Crystal structure of strontioginorite, (Sr,Ca)2B14O20(OH)6.5H2O
_database_code_amcsd 0000214
12.817 14.448 12.783 90 101.42 90 P2_1/a
atom     x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sr   .6178  .1711  .7364      .00265 .00120 .00201 .00008 .00122 .00013
Ca   .1264  .2187  .2463       .0015  .0007  .0013 -.0002  .0008  .0000
B1   .3903  .2010 -.1236   .7
B2   .4334  .3031  .0504  1.0
B3   .2622  .1961  .0125   .8
B4   .5752  .2551 -.0426   .7
B5   .3410  .2573  .1920   .8
B6   .3046  .0571 -.0796  1.1
B7   .3902  .3189  .3781   .7
B8   .4223  .2021  .5384   .9
B9   .2549  .3110  .5049   .8
B10  .5704  .2546  .4567   .8
B11  .3364  .2530  .6868   .5
B12  .2922  .4571  .4152   .8
B13  .4099  .0668  .4092   .9
B14  .5247  .0623  .2736   .9
O1   .3667  .2306 -.0165   .6
O2   .4324  .2890  .1635  1.0
O3   .2627  .2156  .1239  1.0
O4   .2574  .0967 -.0046  1.2
O5   .3645  .1038 -.1369  1.1
O6   .5032  .2121 -.1213  1.0
O7   .5443  .2942  .0439  1.2
OH8  .2923 -.0375 -.1003  2.1
OH9  .3876  .3922  .0146  1.7
O10  .1774  .2449 -.0557  1.2
O11  .3221  .2682  .2933   .9
O12  .3628  .2839  .4816   .5
O13  .4122  .2040  .6507   .9
O14  .2589  .3007  .6183   .9
O15  .2349  .4071  .4757   .9
O16  .3680  .4175  .3694  1.0
O17  .5030  .3049  .3809   .8
O18  .5358  .2136  .5399   .9
OH19 .2707  .5488  .3972  1.9
O20  .3810  .1160  .4898  1.0
OH21 .3730 -.0219  .3899  1.5
O22  .4742  .1041  .3465  1.3
OH23 .5046 -.0264  .2415  1.8
OH24 .5952  .1170  .2329  1.5
O25  .1729  .2518  .4419   .9
O26  .3285  .2568  .7919  1.0
Wat1 .1096  .1489  .7207  2.3
Wat2 .1537  .0614  .2715  2.6
Wat3 .2367  .4502  .8493  2.1
Wat4 .0167  .0384  .8661  2.8
Wat5 .0509 -.0246  .4008  2.8
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Pigeonite
Download hom/pigeonite.pdf
Clark J R, Ross M, Appleman D E
Download am/vol56/AM56_888.pdf
American Mineralogist 56 (1971) 888-908
Crystal chemistry of a lunar pigeonite
class b data refinement
_database_code_amcsd 0000248
9.678 8.905 5.227 90 108.71 90 P2_1/c
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .2506 .6548 .2300 .67  .55
Fe1  .2506 .6548 .2300 .33  .55
Mg2  .2564 .0167 .2246 .41  .51  .0017  .0018  .0038  .0003  .0006  .0004
Fe2  .2564 .0167 .2246 .59  .51  .0017  .0018  .0038  .0003  .0006  .0004
SiA  .0434 .3399 .2844      .40
SiB  .5520 .8364 .2368      .34
O1A  .8684 .3373 .1740      .57
O1B  .3755 .8357 .1296      .43
O2A  .1231 .4977 .3312      .78
O2B  .6314 .9850 .3814      .59
O3A  .1048 .2683 .5917     1.12  .0022  .0054  .0095  .0000  .0016  .0033
O3B  .6045 .7047 .4707     1.05  .0022  .0044  .0110  .0007  .0022  .0026
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Veatchite
Download hom/veatchite.pdf
Clark J R, Christ C L
Download am/vol56/AM56_1934.pdf
American Mineralogist 56 (1971) 1934-1954
Veatchite: Crystal structure and correlations with p-veatchite
Locality: old colemanite mine, Lang, Los Angeles County, California, USA
_database_code_amcsd 0000265
20.860 11.738 6.652 90 92.10 90 Aa
atom     x     y     z Biso
Sr1  .1124 .0359 .5256  .73
Sr2      0 .1881     0  .62
B1    .128  .331  .724   .9
B2    .154  .485  .485   .4
B3    .130  .288  .365   .8
B4    .147  .695  .514   .5
B5    .256  .595    .5  1.8
B6   -.007  .393  .308   .2
B7   -.026  .239  .536  -.8
B8   -.013  .436  .663   .7
B9   -.033  .024  .504   .4
B10  -.135  .126  .514   .1
B11  -.159  .209  .011  1.9
O1    .122  .297  .919   .3
O2    .125  .443  .678   .2
O3    .130  .252  .569   .7
O4    .135  .400  .322   .2
O5    .220  .493  .506  1.6
O6    .120  .594  .424   .2
O7    .127  .201  .233   .4
O8    .220  .699  .505  1.6
OH9   .318  .592  .507  3.0
O10   .003  .424  .110   .6
O11  -.007  .281  .345   .4
O12  -.013  .472  .459  1.0
O13  -.015  .323  .700   .8
O14  -.104  .226  .519   .6
O15  -.002  .131  .594   .6
O16  -.006  .522  .801   .9
O17  -.096  .022  .513   .9
OH18 -.198  .115  .504  2.0
OH19 -.219  .210  .003  2.5
OH20 -.113  .296  .015  1.8
OH21 -.123  .107  .005  1.9
Wat   .229  .071  .532  2.4
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Gowerite
Download hom/gowerite.pdf
Konnert J A, Clark J R, Christ C L
Download am/vol57/AM57_381.pdf
American Mineralogist 57 (1972) 381-396
Gowerite, CaB5O8(OH).B(OH)3.3H2O: Crystal structure and comparison with
related borates
_database_code_amcsd 0000273
12.882 16.360 6.558 90 121.62 90 P2_1/a
atom     x     y     z Biso
Ca   .1908 .2521 .0879 1.46
B1    .631  .239  .577  1.8
B2    .440  .309  .492  2.0
B3    .477  .274  .172  1.9
B4    .345  .313  .731  2.0
B5    .418  .439  .647  2.0
B6    .232  .071  .061  3.2
O1    .238  .293  .741  2.4
O2    .554  .262  .650  2.2
O3    .595  .251  .341  2.5
O4    .400  .295  .240  2.5
O5    .468  .397  .548  2.5
O6    .342  .282  .523  2.1
O7    .455  .279 -.051  2.5
O8    .356  .403  .742  2.6
OH9   .429  .524  .665  3.6
OH10  .183  .109  .171  3.5
OH11  .288  .127 -.015  4.0
OH12  .229 -.010  .021  4.2
Wat1  .131  .390  .062  4.0
Wat2  .087  .453  .418  8.8
Wat3  .384  .109  .711  5.3
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Fassaite
 
Dowty E, Clark J R
Download am/vol58/AM58_230.pdf
American Mineralogist 58 (1973) 230-242
Crystal structure refinement and optical properties of a Ti3+ fassaite from the
Allende Meteorite
_database_code_amcsd 0000310
9.80 8.85 5.36 90 105.62 90 C2/c
atom     x     y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al   .2882 .0934  .2260 .365 .00126 .00136  .0048 .00003  .0010 -.0002
Si   .2882 .0934  .2260 .635 .00126 .00136  .0048  .0000  .0010 -.0002
O1   .1119 .0872  .1352       .0022  .0023  .0047  .0001  .0016 -.0002
O2   .3634 .2569  .3214       .0032  .0025  .0063  .0003  .0016  .0002
O3   .3524 .0198 -.0105       .0016  .0025  .0062  .0003  .0009 -.0007
Mg1      0 .9067    .25  .39 .00160  .0020  .0063      0  .0008      0
Ti1      0 .9067    .25  .48 .00160  .0020  .0063      0  .0008      0
Al1      0 .9067    .25  .13 .00160  .0020  .0063      0  .0008      0
Ca2      0 .3078    .25      .00263 .00204  .0061      0  .0005      0
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Boracite
Download hom/boracite.pdf
Sueno S, Clark J R, Papike J J, Konnert J A
Download am/vol58/AM58_691.pdf
American Mineralogist 58 (1973) 691-697
Crystal-structure refinement of cubic boracite
Note: This is a high-temperature phase of boracite
Locality: Solvayshall, Roschwitz, Germany
T = 400 C
_database_code_amcsd 0000382
12.0986 12.0986 12.0986 90 90 90 F-43c
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg       0   .25   .25  .0111  .0015  .0015      0      0      0
B1     .25     0     0  .0007  .0011  .0011      0      0      0
B2   .0808 .0808 .0808  .0019  .0019  .0019  .0010  .0010  .0010
O1       0     0     0  .0018  .0018  .0018      0      0      0
O2   .0987 .0214 .1821  .0011  .0016  .0011  .0005  .0003  .0004
Cl     .25   .25   .25  .0054  .0054  .0054      0      0      0
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Hulsite
Download hom/hulsite.pdf
Konnert J A, Appleman D E, Clark J R, Finger L W, Kato T, Miura Y
Download am/vol61/AM61_116.pdf
American Mineralogist 61 (1976) 116-122
Crystal structure and cation distribution of hulsite, a tin-iron borate
_database_code_amcsd 0000497
10.695 3.102 5.432 90 94.2 90 P2/m
atom     x  y     z occ Biso
Sn       0 .0     0 .20  .14
Fe1      0 .0     0 .27  .14
Fe2     .5 .0    .5 .50  .11
Fe3     .5 .0     0 .50  .21
Fe4      0 .5    .5 .36  .11
Mg4      0 .5    .5 .16  .11
Fe5  .2747 .5 .2187 .50  .17
Mg5  .2747 .5 .2187 .48  .17
B1    .241  0  .711      .18
O1    .112  0  .697      .42
O2    .305  0  .502      .59
O3    .305  0  .943      .30
O4    .091 .5  .187      .37
O5    .469 .5  .246      .32
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Ulexite
Download hom/ulexite.pdf
Ghose S, Wan C, Clark J R
Download am/vol63/AM63_160.pdf
American Mineralogist 63 (1978) 160-171
Ulexite, NaCaB5O6(OH)6*5H2O: Structure refinement, polyanion
configuration, hydrogen bonding, and fiber optics
_database_code_amcsd 0000611
8.816 12.870 6.678 90.36 109.05 104.98 P-1
atom      x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .1422 .0256 .3042       .0115  .0103  .0125  .0020 .00170 -.0003
Na    .4774 .5015 .2438       .0316  .0235  .0266  .0100 .00960  .0012
B1    .0506 .2002 .6685       .0120  .0120  .0150  .0056 .00160  .0009
B2    .3464 .2700 .8995       .0130  .0130  .0130  .0040 .00270  .0007
B3   -.1891 .2240 .7821       .0150  .0150  .0160  .0070 .00400 -.0009
B4    .2344 .0737 .7834       .0130  .0110  .0150  .0050 .00370  .0021
B5   -.1737 .2697 .4276       .0150  .0150  .0130  .0060 .00210 -.0005
O1    .1985 .2890 .7929       .0123  .0107  .0219  .0043 -.0005 -.0012
O2    .1024 .1066 .6208       .0111  .0121  .0118  .0057 .00110 -.0008
O3   -.0289 .2424 .4664       .0138  .0180  .0141  .0087 .00390  .0044
O4   -.0650 .1677 .7840       .0147  .0152  .0146  .0082 .00640  .0030
O5    .3701 .1692 .9112       .0123  .0114  .0170  .0036 .00250  .0007
O6   -.2591 .2602 .5667       .0160  .0280  .0122  .0134 .00310  .0011
Oh1   .2992 .0085 .6683       .0158  .0195  .0194  .0100 .00500 -.0008
Oh2  -.1132 .3228 .9369       .0227  .0131  .0152  .0074 .00230 -.0009
Oh3   .1580 .0068 .9265       .0153  .0126  .0175  .0059 .00370  .0028
Oh4  -.3183 .1469 .8361       .0200  .0163  .0390  .0046 .01670 -.0002
Oh5   .4776 .3597 .0025       .0136  .0124  .0211  .0033 -.0017 -.0004
Oh6  -.2383 .3130 .2405       .0240  .0350  .0128  .0202 .00520  .0056
OW1   .1462 .2106 .2240       .0205  .0220  .0196  .0105 .00640  .0031
OW2   .4293 .1021 .3302       .0180  .0290  .0260  .0001 .00070  .0018
OW3   .4707 .3586 .4870       .0240  .0220  .0310  .0079 .00670 -.0028
OW4   .1925 .4794 .1850       .0280  .0220  .0340  .0040 .00100  .0000
OW5   .2252 .4765 .6107       .0400  .0170  .0410  .0080 .01300  .0054
H1     .397  .022  .698 .025
H2    -.134  .373  .878  .03
H3     .193 -.045  .975 .029
H4    -.379  .169  .872  .03
H5     .555  .342  .078  .04
H6    -.189  .313  .147  .04
H7     .086  .230  .285 .024
H8     .092  .218  .088  .09
H9     .439  .127  .229  .07
H10    .513  .134  .418  .04
H11    .392  .316  .421  .04
H12    .555  .335  .513  .04
H13    .120  .431  .113  .06
H14    .192  .473  .294  .03
H15    .202  .422  .664  .05
H16    .191  .521  .662  .05
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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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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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Bartonite
Download hom/bartonite.pdf
Evans H T, Clark J R
Download am/vol66/AM66_376.pdf
American Mineralogist 66 (1981) 376-384
The crystal structure of bartonite, a potassium iron sulfide, and its
relationship to pentlandite and djerfisherite
_database_code_amcsd 0000824
10.424 10.424 20.626 90 90 90 I4/mmm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1   .2996     0     0 .920 0.0034 0.0037 0.0035      0      0      0
K2       0     0 .1539      0.0030 0.0030 0.0029      0      0      0
Fe1  .1299 .3687 .1841 .841 0.0016 0.0018 0.0018 -.0001 0.0001 -.0002
Fe2  .3688 .3688 .0659 .864 0.0018 0.0018 0.0015 0.0001 0.0001 0.0001
S1   .2307 .2307 .1159      0.0022 0.0022 0.0015 0.0003 0.0003 0.0003
S2       0 .2495 .2510      0.0026 0.0010 0.0021      0      0      0
S3   .2506    .5     0      0.0018 0.0023 0.0014      0      0      0
S4       0    .5 .1237      0.0019 0.0023 0.0015      0      0      0
S5       0     0 .3726      0.0022 0.0022 0.0021      0      0      0
S6       0     0     0 .925 0.0031 0.0031 0.0038      0      0      0
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Inyoite
Download hom/inyoite.pdf
Clark J R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=12&spage=162
Acta Crystallographica 12 (1959) 162-170
Studies of borate minerals IV. The structure of inyoite, CaB3O3(OH)5*4H2O
_database_code_amcsd 0009226
10.63 12.06 8.405 90 114 90 P2_1/a
atom     x    y    z
Ca    .022 .129 .160
B1    .073 .108 .835
B2    .232 .467 .976
B3    .206 .578 .211
OH1   .043 .208 .912
OH2   .137 .486 .787
O3    .174 .131 .752
Wat4  .040 .334 .216
O5    .164 .490 .081
OH6   .123 .601 .290
O7    .139 .032 .982
Wat8  .057 .851 .615
Wat9  .236 .650 .644
OH10  .220 .848 .010
OH11  .048 .940 .296
Wat12 .188 .331 .586
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Tachyhydrite
Download hom/tachyhydrite.pdf
Clark J R, Evans H T, Erd R C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=36&spage=2736
Acta Crystallographica B36 (1980) 2736-2739
Tachyhydrite, dimagnesium calcium chloride 12-hydrate
Locality: synthetic
_database_code_amcsd 0009720
10.136 10.136 17.318 90 90 120 R-3
atom      x      y       z U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca        0      0       0  .0310  .0310  .0338   .0155       0       0
Cl    .1780 -.0688   .0926  .0476  .0465  .0423   .0299  -.0044  -.0036
Mg        0      0   .3243  .0302  .0302  .0334   .0151       0       0
O1    .1882  .0700   .2548   .038   .052   .042    .016    .006    .000
O2   -.1897 -.0628   .3920   .045   .050   .060    .023    .016    .004
H1      .18    .04    .206
H2      .27    .18    .263
H3     -.20    .02    .416
H4     -.23   -.16    .417
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Fabianite
Download hom/fabianite.pdf
Konnert J A, Clark J R, Christ C L
Download zk/vol132/ZK132_241.pdf
Zeitschrift fur Kristallographie 132 (1970) 241-254
Crystal structure of fabianite, CaB3O5(OH), and comparison with the
structure of its syntheic dimorph
Locality: salt deposits near Diepholz, Germany
_database_code_amcsd 0010718
6.593 10.488 6.365 90 113.38 90 P2_1/a
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3041 .4371 .6372  .91  .0070  .0024  .0044 -.0001  .0019  .0003
B1   .4139 .1124 .7556  .95  .0090  .0023  .0038  .0000  .0025  .0001
B2   .7562 .0765 .1259  .97  .0100  .0022  .0034 -.0002  .0028  .0003
B3   .5174 .2690 .0739  .93  .0071  .0022  .0056 -.0003  .0023  .0001
OH1  .4243 .1284 .5278 1.03  .0090  .0026  .0044 -.0003  .0022  .0002
O2   .3930 .2387 .8489  .99  .0083  .0021  .0047  .0003  .0009 -.0001
O3   .2161 .0325 .7225  .91  .0059  .0025  .0049  .0001  .0012  .0005
O4   .6207 .0502 .8902  .88  .0072  .0023  .0036 -.0004  .0014 -.0001
O5   .6739 .1892 .2175 1.03  .0089  .0022  .0046 -.0004  .0011  .0004
O6   .9845 .1131 .1527 1.10  .0076  .0026  .0067 -.0001  .0017 -.0011
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Boracite
Download hom/boracite.pdf
Dowty E, Clark J R
Download zk/vol138/ZK138_64.pdf
Zeitschrift fur Kristallographie 138 (1973) 64-99
Crystal-structure refinements for orthorhombic boracite,
Mg3B7O13Cl, and a trigonal, iron-rich analogue
Locality: Solvayshall, Roschwitz, Germany
Note: [.25 .25 0] added to all atoms to move origin to screw axis
_database_code_amcsd 0010744
8.5496 8.5496 12.0910 90 90 90 Pca2_1
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg1  .2417 .7488 .4770  .59  .0015  .0013  .0016 -.00005  .00006  -.0002
Mg2  .4851 .9704 .2537  .62  .0023  .0021  .0010   .0009  .00003  -.0002
Mg3  .4850 .5284 .2514  .59  .0024  .0021  .0008  -.0009   .0002  -.0001
B11  .4982 .9983 .5018  .26  .0012  .0007  .0004   .0004  -.0004  -.0003
B12  .2560 .2487 .2488  .43  .0012  .0012  .0010  -.0003  -.0004   .0003
B13  .4981 .5023 .5016  .46  .0017  .0013  .0011   .0000   .0001   .0002
B21  .2523 .4037 .4202  .46  .0011  .0007  .0015   .0002   .0001   .0007
B22  .2535 .0964 .4224  .50  .0022  .0013  .0000   .0000  -.0003   .0005
B23  .4053 .2499 .5735  .50  .0014  .0013  .0002   .0007   .0001  -.0005
B3   .5472 .7500 .6012  .51  .0021  .0012  .0010   .0001  -.0005   .0001
O1   .2673 .2493 .4914  .40  .0015  .0008  .0009   .0004  -.0003  -.0002
O21  .3324 .9718 .4794  .34  .0007  .0013  .0007  -.0002  -.0002  -.0002
O22  .4106 .4607 .4019  .39  .0015  .0018  .0004  -.0003   .0003   .0002
O23  .3289 .1253 .3156  .41  .0013  .0014  .0008   .0002   .0000   .0002
O24  .1643 .5201 .4813  .41  .0013  .0011  .0009  -.0001  -.0001  -.0003
O25  .0896 .0572 .4059  .44  .0008  .0013  .0012  -.0004   .0000   .0001
O26  .1770 .3653 .3172  .50  .0017  .0015  .0010   .0005  -.0002  -.0002
O27  .3830 .3301 .1865  .38  .0018  .0014  .0004  -.0005   .0003  -.0003
O28  .5385 .9113 .6066  .52  .0019  .0006  .0014   .0003   .0000   .0002
O29  .5337 .1629 .5226  .29  .0017  .0008  .0002  -.0001   .0001  -.0003
O210 .3609 .1743 .6764  .33  .0016  .0010  .0004   .0004   .0000   .0001
O211 .4504 .4097 .5965  .35  .0016  .0011  .0005  -.0001  -.0001   .0000
O212 .4575 .6706 .5261  .45  .0017  .0010  .0009   .0000  -.0004  -.0001
Cl   .2741 .7494 .2618  .92  .0035  .0028  .0016  .00006  .00008 -.00006
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Congolite
Download hom/congolite.pdf
Dowty E, Clark J R
Download zk/vol138/ZK138_64.pdf
Zeitschrift fur Kristallographie 138 (1973) 64-99
Crystal-structure refinements for orthorhombic boracite,
Mg3B7O13Cl, and a trigonal, iron-rich analogue
Locality: Bischofferode, Thuringen, Germany
_database_code_amcsd 0010745
8.612 8.612 21.0650 90 90 120 R3c
atom     x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe   .1480 .2971   .327  .8  .74  .0034  .0038 .00038  .0019  .0001  .0003
Mg   .1480 .2971   .327  .2  .74  .0034  .0038 .00038  .0019  .0001  .0003
B11   .162 -.169  .0828      .59  .0024  .0057  .0002  .0032 -.0003 -.0004
B2    .099 -.105 -.0286      .78  .0011  .0043  .0002  .0006 -.0006 -.0009
B3       0     0   .102      .96  .0028  .0028  .0009  .0014      0      0
O1       0     0 -.0126      .70  .0023  .0023  .0006  .0011      0      0
O21  -.160 -.001  .1056      .59  .0018  .0024  .0004  .0009 -.0002 -.0002
O22   .289 0.261 -.0353      .64  .0024  .0035  .0003  .0014 -.0001 -.0003
O23   .199 -.022 -.0869      .67  .0025  .0030  .0001 -.0005 -.0001 -.0001
O24  -.306 -.226  .0204      .66  .0049  .0012  .0003  .0011  .0001  .0003
Cl       0     0  .2654     1.16  .0050   .005  .0007  .0025      0      0
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Tunellite
Download hom/tunellite.pdf
Clark J R
 
Science 141 (1963) 1178-1179
Boron-oxygen polyanion in the crystal structure of tunellite
Locality: Jenifer mine, Kramer borate district, California, USA
_database_code_amcsd 0018902
14.36 8.198 9.930 90 113.92 90 P2_1/a
atom     x    y    z
Sr    .162 .056 .195
B1    .194 .151 .849
B2    .194 .156 .585
B3    .043 .248 .625
B4    .187 .455 .220
B5    .253 .389 .486
B6    .251 .388 .022
O1    .194 .025 .952
O2    .203 .038 .482
OH3   .050 .681 .426
Wat4  .998 .168 .238
OH5   .090 .536 .172
O6    .242 .799 .399
O7    .208 .341 .340
O8    .238 .785 .081
O9    .194 .350 .101
O10   .089 .212 .773
O11   .087 .210 .534
Wat12 .021 .840 .068
Wat13 .139 .580 .712
O14   .227 .083 .734
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Total number of retrieved datasets: 24
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