Chiavennite
Tazzoli V, Domeneghetti M C, Mazzi F, Cannillo E
European Journal of Mineralogy 7 (1995) 1339-1334
The crystal structure of chiavennite
_database_code_amcsd 0006609
8.729 31.326 4.903 90 90 90 Pnab
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .2500  .0879      0 .0183  .0275  .0138  .0138      0  .0004      0
Mn        0      0      0 .0152  .0234  .0122  .0099 -.0018      0  .0005
Be   -.0003  .0572 -.4298 .0090  .0166  .0075  .0029 -.0010  .0056 -.0030
Si1   .2500  .0013  .5000 .0124  .0170  .0100  .0101      0 -.0014      0
Si2   .5838  .2322  .1047 .0185  .0222  .0113  .0218  .0022  .0023  .0009
Si3   .1425 -.1351  .2436 .0194  .0213  .0120  .0250 -.0005 -.0028  .0013
O1    .1392 -.0279  .3134 .0155  .0169  .0124  .0171 -.0011 -.0019 -.0039
O2    .1517  .0324 -.2957 .0153  .0196  .0123  .0139  .0011 -.0007 -.0015
O3    .0414  .2391  .1347 .0409  .0357  .0431  .0437  .0011 -.0136 -.0149
O4    .2500 -.2478      0 .0285  .0294  .0190  .0371      0  .0088      0
O5    .2500 -.1187      0 .0773  .0768  .0314  .1236      0  .0821      0
O6    .2500 -.1387  .5000 .1049  .1139  .0510  .1497      0 -.1032      0
O7    .0800 -.1824  .1773 .0342  .0350  .0141  .0534 -.0026  .0091 -.0109
O8    .0005 -.1044  .2905 .0207  .0250  .0132  .0239 -.0033  .0043 -.0058
OH    .0125  .0581  .2430 .0207  .0266  .0162  .0192  .0017 -.0029 -.0001
Wat   .1581  .1474  .2602 .0371  .0431  .0322  .0359  .0098 -.0032 -.0139