American Mineralogist Crystal Structure Database

1 matching records for this search.

Andyrobertsite
 
Cooper M A, Hawthorne F C
Download cm/vol38/CM38_817.pdf
The Canadian Mineralogist 38 (2000) 817-830
Highly undersaturated anions in the crystal structure of andyrobertsite -
calcio-andyrobertsite, a doubly acid arsenate of the form
K(Cd,Ca)[Cu5(AsO4)4{As(OH)2O2}](H2O)2
_database_code_amcsd 0005686
9.8102 10.0424 9.9788 90 101.686 90 P2_1/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)
As1  .18027 .04168 .07665      .0068  .0080  .0063  .0064 -.0010  .0020 -.0010
As2  .18285 .04072 .48913      .0077  .0100  .0068  .0068 -.0009  .0032  .0005
As3  .63179    1/4 .19752      .0166  .0069  .0244  .0192      0  .0039      0
Cu1  .92130 .02668 .23738      .0097  .0114  .0118  .0065 -.0029  .0032 -.0007
Cu2  .92830    1/4 .47111      .0102  .0127  .0054  .0144      0  .0071      0
Cu3  .92803    1/4 .01065      .0099  .0113  .0060  .0111      0 -.0007      0
Cu4  .33062    1/4 .31118      .0087  .0124  .0067  .0075      0  .0033      0
Ca   .71729    1/4 .69496 .428 .0114  .0102  .0111  .0134      0  .0039      0
Cd   .71729    1/4 .69496 .426 .0114  .0102  .0111  .0134      0  .0039      0
Mn   .71729    1/4 .69496 .146 .0114  .0102  .0111  .0134      0  .0039      0
K     .3562    1/4  .8281      .0230  .0225  .0252  .0237      0  .0106      0
O1    .1756  .0779  .9134      .0152  .0217  .0156  .0093 -.0101  .0055 -.0020
O2    .8212  .1228  .8847      .0128  .0174  .0058  .0135  .0001 -.0013  .0020
O3    .3242  .1082  .1724      .0126  .0096  .0138  .0136 -.0010  .0005 -.0069
O4    .0358  .1107  .1204      .0103  .0098  .0113  .0109  .0027  .0044  .0022
O5    .8297  .1207  .5618      .0118  .0153  .0062  .0157 -.0013  .0078 -.0017
O6    .0342  .1120  .4008      .0104  .0114  .0107  .0092  .0019  .0023 -.0011
O7    .3232  .1101  .4471      .0134  .0126  .0141  .0140 -.0019  .0035  .0043
O8    .1934  .0630  .6562      .0165  .0205  .0230  .0068 -.0100  .0047 -.0006
O9    .8050    1/4  .2178      .0206  .0073  .0240  .0300      0  .0025      0
O10   .5653    1/4  .3363      .0234  .0129  .0382  .0191      0  .0035      0
Oh    .5733  .1154  .0936      .0423  .0252  .0627  .0438 -.0252  .0182 -.0277
OW    .5326  .1078  .6744      .0202  .0161  .0158  .0275  .0015  .0018 -.0003
H1     .465   .111   .587      .0200
H2     .594   .034   .662      .0200
H3     .479   .097   .106      .0200
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