American Mineralogist Crystal Structure Database

1 matching records for this search.

Wernerbaurite
 
Kampf A R, Hughes J M, Marty J, Nash B
 
The Canadian Mineralogist 51 (2013) 297-312
Wernerbaurite, {[Ca(H2O)7]2(H2O)2(H3O)2}{V10O28}, and schindlerite,
{[Na2(H2O)10](H3O)4}{V10O28}, the first hydronium-bearing decavanadate minerals
Locality: St. Jude mine, San Miguel County, Colorado, U.S.A.
_database_code_amcsd 0019898
9.7212 10.2598 10.5928 89.999 77.083 69.887 P-1
atom      x      y      z occ   Uiso
V1   .65439 .03563 .94782     .01912
V2   .34785 .27089 .09318     .02374
V3   .51790 .04014 .24712     .02206
V4   .81413 .80172 .10355     .02525
V5   .47686 .26110 .79393     .02551
Ca   .83962 .26607 .41299 .94 .02816
Na   .83962 .26607 .41299 .04 .02816
K    .83962 .26607 .41299 .01 .02816
Sr   .83962 .26607 .41299 .01 .02816
O1    .4263 .09869 .93156      .0205
O2    .5596 .15842 .10244      .0217
O3    .6720 .89534 .81782      .0213
O4    .6755 .15763 .84533      .0246
O5    .7195 .95556 .23251      .0254
O6    .8241 .95602 .98196      .0253
O7    .4664 .89756 .31933      .0253
O8    .2763 .30383 .79403      .0280
O9    .1693 .29926 .04793      .0265
O10   .4241 .35638 .95846      .0270
O11   .4653  .1539 .36944      .0314
O12   .2999  .3837  .2148      .0360
O13   .9835  .7477  .1212      .0365
O14   .5284  .3660  .6995      .0379
OW1   .7548  .0726  .4654      .0306
H1a    .742   .030  1.398       .037
H1b    .673   .088  1.529       .037
OW2   .8885  .1343  .2015      .0380
H2a    .829   .091  1.185       .046
H2b    .975   .100  1.147       .046
OW3   .0958  .1416  .3823      .0490
H3a   1.133   .062  1.420       .059
H3b   1.158   .137  1.308       .059
OW4   .8363  .7091  .4248      .0689
H4a    .802  -.236  1.503       .083
H4b    .759  -.254  1.384       .083
OW5   .9033  .4104  .2396      .0418
H5a    .981   .380  1.174        .05
H5b    .863  .5009  1.243        .05
OW6   .5957  .3612  .3717      .0457
H6a    .529   .318  1.389       .055
H6b    .540  .4513  1.373       .055
OW7   .8894  .2086  .6283      .0509
H7a    .951   .251  1.637       .061
H7b    .826   .216  1.704       .061
OW8   .7847  .4827  .5249      .0649
H8a    .769   .494 1.6093       .078
H8b    .809   .551  1.487       .078
OW9   .2864  .6429  .9472      .0537
H9a    .340   .554   .965       .064
H9b    .353   .691   .938       .064
H9c    .213   .684  1.025       .064
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