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American Mineralogist Crystal Structure Database

1 matching records for this search.

Cappelenite-(Y)
Download hom/cappelenitey.pdf 
Shen J, Moore P B
Download am/vol69/AM69_190.pdf 
American Mineralogist 69 (1984) 190-195
Crystal structure of cappelenite, Ba(Y,RE)6[Si3B6O24]F2: a silicoborate
sheet structure
_database_code_amcsd 0000935
10.67 10.67 4.680 90 90 120 P3
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0      0.0167 0.0167 0.0194 .00835      0      0
Y1   .2155 .4311 .9401      0.0001 0.0039 0.0107 0.0014 0.0001 -.0021
Y2   .4320 .2161 .9722      0.0040 0.0088 0.0173 0.0011 -.0056 -.0049
Si   .0088 .5049 .4100      0.0116 0.0074 0.0217 0.0045 0.0017 0.0031
B1    .255  .255  .474      0.0128 0.0001 0.0245 0.0175 0.0032 0.0002
B2    .003  .254  .475      0.0320 0.0001 0.0151 -.0037 -.0089 -.0070
O1    .371  .387  .630      0.0149 0.0234 0.0022 0.0078 0.0062 0.0020
O2    .018  .387  .631      0.0316 0.0230 0.0156 0.0156 -.0093 0.0044
O3    .572  .428  .236      0.0179 0.0018 0.0129 0.0021 -.0003 -.0026
O4    .426  .573  .197      0.0070 0.0106 0.0181 0.0025 -.0037 -.0039
O5    .281  .140  .600      0.0125 0.0190 0.0209 0.0115 0.0039 0.0020
O6    .112  .227  .619      0.0229 0.0244 0.0288 0.0190 -.0035 0.0025
O7    .260  .262  .186      0.0001 0.0079 0.0247 0.0009 -.0038 -.0073
O8    .001  .265  .188      0.0109 0.0167 0.0192 0.0069 0.0088 0.0022
F1     1/3   2/3  .735 1.14
F2     2/3   1/3  .783 0.94


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