American Mineralogist Crystal Structure Database

1 matching records for this search.

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
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Total number of retrieved datasets: 1
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