American Mineralogist Crystal Structure Database

1 matching records for this search.

Cervandonite-(Ce)
Download hom/cervandonitece.pdf
Demartin F, Gramaccioli C M, Graeser S
Download cm/vol46/CM46_423.pdf
The Canadian Mineralogist 46 (2008) 423-430
The crystal structure of cervandonite-(Ce), an interesting example of
As3+ - Si diadochy
Locality: Alpine fissures at Pizzo Cervandone, Scherbadung, Central Alps
Note: Chemistry from original description of the mineral.
_database_code_amcsd 0006185
6.508 6.508 18.520 90 90 120 R3m
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce       0     0      0  .44 .0203  .0225  .0225  .0159  .0113      0      0
Nd       0     0      0  .22 .0203  .0225  .0225  .0159  .0113      0      0
La       0     0      0  .21 .0203  .0225  .0225  .0159  .0113      0      0
Th       0     0      0  .06 .0203  .0225  .0225  .0159  .0113      0      0
Y        0     0      0  .03 .0203  .0225  .0225  .0159  .0113      0      0
U        0     0      0  .02 .0203  .0225  .0225  .0159  .0113      0      0
Ca       0     0      0  .02 .0203  .0225  .0225  .0159  .0113      0      0
Fe3+ .1682 .3365 -.1661 .417 .0309  .0286  .0585  .0157  .0292  .0020  .0040
Fe2+ .1682 .3365 -.1661 .140 .0309  .0286  .0585  .0157  .0292  .0020  .0040
Ti   .1682 .3365 -.1661 .313 .0309  .0286  .0585  .0157  .0292  .0020  .0040
Al   .1682 .3365 -.1661 .127 .0309  .0286  .0585  .0157  .0292  .0020  .0040
Sn   .1682 .3365 -.1661 .003 .0309  .0286  .0585  .0157  .0292  .0020  .0040
As1    1/3   2/3  .3470  .58 .0183  .0232  .0232  .0084  .0116      0      0
As2    1/3   2/3 -.0156  .58 .0311  .0400  .0400  .0133  .0200      0      0
Si1    1/3   2/3  .3698  .42 .0291
Si2    1/3   2/3  .1928  .42 .0188
Si3    1/3   2/3  .1424  .42 .0188
Si4    1/3   2/3 -.0355  .42 .0291
O1       0     0 -.1404      .0710
O2       0     0  .1400      .0720
O3   .2024 .4048  .1673      .0291
O4   .0608 .5304  .3926      .0349
O5   .1926 .3853 -.0638      .0237
O6     1/3   2/3  .2824      .0380
O7     1/3   2/3  .0532      .0230
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