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American Mineralogist Crystal Structure Database

1 matching records for this search.

Rruffite
 
Yang H, Jenkins R A, Downs R T, Evans S H, Tait K T
 
The Canadian Mineralogist 49 (2011) 877-884
Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile
Locality: the Maria Catalina mine, Tierra Amarilla, Chile
_database_code_amcsd 0018388
5.8618 12.7854 5.7025 90 109.425 90 P2_1/c
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .56418 .12303 .21155 .0100  .0089  .0094  .0119 -.0003  .0038 -.0010
Cu        0      0      0 .0128  .0109  .0121  .0136  .0001  .0016 -.0044
As   .22626 .12128 .54652 .0080  .0074  .0076  .0084  .0002  .0019 -.0001
O1    .2381  .0379  .3183 .0119  .0102  .0135  .0118 -.0006  .0032 -.0048
O2    .3018  .0542  .8149 .0112  .0124  .0104  .0106  .0011  .0037  .0026
O3    .9533  .1749  .4816 .0121  .0083  .0126  .0142  .0041  .0020  .0001
O4    .4468  .2067  .5496 .0126  .0114  .0116  .0156 -.0049  .0056 -.0024
O5    .8261  .1361  .9559 .0112  .0112  .0095  .0105 -.0009  .0004 -.0011
H1     .731   .141   .855   .04
H2     .897   .197   .983   .04
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Total number of retrieved datasets: 1
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