American Mineralogist Crystal Structure Database

3 matching records for this search.

Betpakdalite-CaCa
 
Cooper M A, Hawthorne F C
Download cm/vol37/CM37_61.pdf
The Canadian Mineralogist 37 (1999) 61-66
The crystal structure of betpakdalite, and a new chemical formula:
{Mg(H2O)6}Ca2(H2O)13[Mo8As2Fe3O36(OH)](H2O)4
_database_code_amcsd 0005591
19.531 11.061 15.257 90 131.57 90 C2/m
atom        x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mo1    .21480 -.16070 .19391     .0081  .0099  .0075  .0086  .0008  .0069  .0007
Mo2    .37106       0 .19692     .0079   0076  .0082  .0081      0  .0053      0
Mo3    .37566       0 .42461     .0120  .0096  .0178  .0083      0  .0058      0
As    -.13451       0 .05884     .0083  .0083  .0085  .0084      0  .0057      0
Fe1       .75     .75      0     .0111  .0127  .0094  .0127 -.0004  .0090  .0009
Fe2         0       0      0     .0119  .0109  .0142  .0130      0  .0091      0
Mg         .5       0      0     .0224  .0172  .0270  .0244      0  .0143      0
Ca      .1559  -.1768  .4880  .5 .0330  .0336  .0261  .0302 -.0005  .0172  .0115
O1      .2126       0  .0926     .0094  .0102  .0088  .0076      0  .0051      0
O2      .2375       0  .2852     .0115  .0111  .0131  .0116      0  .0081      0
O3      .3423  -.1249  .1022     .0153  .0162  .0133  .0188 -.0016  .0125 -.0035
O4      .3505  -.1137  .2869     .0135  .0133  .0162  .0132  .0005  .0098  .0001
O5      .2184  -.2546  .1012     .0153  .0211  .0131  .0196 -.0015  .0168 -.0022
O6      .0947  -.1279  .1007     .0154  .0140  .0158  .0167  .0007  .0103  .0007
O7      .1513  -.1243 -.1056     .0173  .0223  .0142  .0109  .0061  .0092 -.0019
O8      .0285       0 -.1066     .0171  .0077  .0335  .0110      0  .0066      0
O9      .3708  -.1229  .4889     .0233  .0233  .0252  .0155 -.0026  .0104  .0023
O10     .4873       0  .2926  .5 .0176  .0124  .0249  .0134      0  .0076      0
OH10    .4873       0  .2926  .5 .0176  .0124  .0249  .0134      0  .0076      0
O11     .2346  -.2608  .2940     .0197  .0255  .0192  .0170  .0029  .0151  .0050
O12        .5    .014     .5  .5 .0188  .0080  .0314  .0151      0  .0069      0
Wat1    .4657  -.1347  .0586     .0483  .0370  .0641  .0462 -.0199  .0286  .0002
Wat2    .6294       0  .1650     .0397  .0230  .0528  .0335      0  .0146      0
Wat3   -.2077       0  .2216     .0405  .0535  .0400  .0459      0  .0405      0
Wat4    .1277  -.0504  .3390  .5 .0368  .0318  .0602  .0240  .0059  .0208  .0125
Wat5   -.1056   -.030  .4644  .5 .0698  .0716  .0676  .0577 -.0145  .0376  .0054
Wat6   -.2951  -.0419  .4039  .5 .0319  .0370  .0279  .0386  .0032  .0284 -.0007
Wat7   -.2335  -.2001  .5028  .5 .0385  .0656  .0251  .0475  .0084  .0471  .0010
Wat8    .4798  -.3068  .3544     .1214  .0738  .0658  .1078  .0163  .0110 -.0224
Wat9    .0569  -.2307  .2597  .5 .0537  .0446  .0429  .0558 -.0013  .0258  .0011
Wat10    .417   -.200   .702 .25 .0494
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Betpakdalite-CaMg
Download hom/betpakdalitecamg.pdf
Kampf A R, Mills S J, Rumsey M S, Dini M, Birch W D, Spratt J, Pluth J J, Steele I M,
Jenkins R A, Pinch W W
 
Mineralogical Magazine 76 (2012) 1175-1207
The heteropolymolybdate family: structural relations, nomenclature scheme and new species
Locality: Tsumeb, Namibia
_database_code_amcsd 0019591
19.5336 11.0637 15.2559 90 131.528 90 C2/m
atom         x        y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ca      .15478  -.17861  .48479 .482  .0292  .0292  .0241  .0287   .0001  .0169  .0101
Na      .15478  -.17861  .48479 .018  .0292  .0292  .0241  .0287   .0001  .0169  .0101
Mg          .5        0       0       .0152  .0102  .0195  .0164       0  .0091      0
Mo1    .214851 -.160513 .193999      .00835 .00993 .00816 .00875  .00080 .00695 .00072
Mo2    .370947        0  .19671      .00797 .00734 .00876 .00776       0 .00498      0
Mo3    .375826        0  .42469      .01243 .00946 .01899 .00823       0 .00560      0
As    -.134700        0  .05865      .00844 .00817 .00905 .00843       0 .00564      0
Fe1        .75      .75       0      .01106 .01247 .00966 .01233 -.00046 .00876 .00073
Fe2          0        0       0      .01209  .0108  .0145  .0126       0  .0084      0
O1      .21258        0  .09237       .0098  .0088  .0113  .0076       0  .0047      0
O2      .23791        0  .28512       .0115  .0104  .0145  .0104       0  .0072      0
O3      .34240  -.12493  .10234       .0155  .0165  .0141  .0184  -.0021  .0126 -.0040
O4      .35036  -.11319  .28652       .0130  .0111  .0163  .0121   .0007  .0078  .0004
O5      .21873  -.25423  .10148       .0158  .0221  .0130  .0181  -.0007  .0158 -.0017
O6      .09475  -.12795  .10119       .0153  .0118  .0159  .0166   .0001  .0087  .0005
O7      .15162  -.12422 -.10525       .0182  .0223  .0141  .0136   .0060  .0100 -.0024
O8      .02891        0  -.1055       .0177  .0090  .0306  .0141       0  .0079      0
O9      .37073  -.12265  .48874       .0231  .0222  .0241  .0146  -.0024  .0086  .0027
O10     .48694        0   .2921       .0175  .0114  .0237  .0149       0  .0077      0
O11     .23494  -.26014  .29470       .0200  .0262  .0191  .0196   .0020  .0172  .0052
O12         .5        0      .5       .0275  .0082   .058  .0116       0  .0046      0
Wat1    .46462   -.1355   .0570       .0495  .0383  .0670  .0459  -.0204  .0291  .0024
Wat2     .6282        0   .1656       .0389  .0215   .055  .0275       0  .0108      0
Wat3    -.2093        0   .2204       .0389   .054  .0364   .049       0  .0432      0
Wat4     .1270   -.0485   .3388 .528  .0388   .033   .060   .027   .0001  .0212  .0084
Wat5    -.1082   -.0282   .4607 .515   .064   .067   .059   .056   -.015   .037   .002
Wat6    -.2934   -.0430   .4060 .546  .0372   .044   .034   .040   .0004   .030 -.0023
Wat7    -.2310   -.1986   .5053 .495  .0363   .054   .030   .047    .007   .043   .001
Wat8     .4770   -.3086   .3511  .77   .066   .055   .055   .054    .008   .022  -.003
Wat9     .0569   -.2326   .2578 .526   .058   .053   .054   .058    .002   .034   .003
Wat10    .4160   -.1978   .6985 .297   .044   .045   .051   .031   -.013   .023  -.006
Wat11    .5140    -.268    .306 .157   .069
Wat12    .4922    -.303    .412  .21   .071
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Betpakdalite-CaCa
 
Schmetzer K, Nuber B, Tremmel G
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 393-403
Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure
Locality: Tsumeb, Namibia
_database_code_amcsd 0014792
19.44 11.096 15.25 90 131.28 90 C2/m
atom        x      y      z  occ  Uiso
KWl     .4727 -.1513  .0715 .086 .0496
WatWl   .4727 -.1513  .0715 .574 .0496
KW2     .6246      0  .1637 .086 .0263
WatW2   .6246      0  .1637 .574 .0263
Wat3   -.2182      0  .2148      .0859
WatW4   .1279 -.0440  .3436 .419 .0377
CaW5   -.1102      0  .4584      .1097
WatW6  -.2961 -.0383  .4053 .419 .0551
WatW7  -.2373 -.2029  .5021 .419 .0577
WatW8   .4768 -.3072  .3483 .419 .0364
WatW9   .0599 -.2382  .2794 .419 .0655
Mol     .2149 -.1609  .1941      .0135
Mo2     .3713      0  .1976      .0134
Mo3     .3750      0  .4235      .0165
As     -.1347      0  .0592      .0141
Fel      -.25   -.25      0      .0177
Fe2         0      0      0      .0209
K          .5      0      0 .086 .0620
Wat        .5      0      0 .574 .0620
Wat     .1558 -.1695  .4928 .419 .0420
O1      .2105      0  .0891      .0171
O2      .2381      0  .2834      .0181
O3      .3420 -.1248  .1036      .0207
O4      .3493 -.1119  .2862      .0141
O5      .2168 -.2529  .1010      .0195
O6      .0939 -.1291  .1005      .0197
O7      .1507 -.1243 -.1068      .0227
O8      .0258      0 -.1102      .0238
O9      .3695 -.1220  .4864      .0293
O10     .4886      0  .2937      .0236
O11     .2353 -.2589  .2939      .0263
O12        .5      0     .5      .0313
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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