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American Mineralogist Crystal Structure Database

1 matching records for this search.

CaGeO3
  
Barbier J, Levy D
Zeitschrift fur Kristallographie 212 (1997) 519-528
Crystal structures of Ca5Ge3O11 and wollastonite-type CaGeO3
_cod_database_code 1008744
_database_code_amcsd 0016625
7.2686 7.5262 8.094 103.44 94.42 90.11 P-1
atom        x       y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca(1) -.02713  .24680 -.00951 .0072  .0073  .0073  .0072  .0002  .0012  .0017
Ca(2)  .26187 -.07445  .70501 .0088  .0086  .0085  .0101  .0013  .0013  .0037
Ca(3)  .25918  .42547  .70730 .0078  .0080  .0073  .0077 -.0007  .0011  .0009
Ge(l)  .22422  .05457  .32260 .0058  .0066  .0054  .0055 -.0006 -.0002  .0016
Ge(2)  .22769  .60715  .31858 .0060  .0066  .0056  .0056  .0006 -.0002  .0012
Ge(3)  .44842  .27343  .09412 .0058  .0049  .0061  .0062  .0000 -.0001  .0014
O(1)    .6849   .2701   .0949 .0089  .0059  .0114  .0096  .0000  .0015  .0026
O(2)    .2910   .2249  -.0805 .0091  .0082  .0114  .0074 -.0008 -.0017  .0020
O(3)    .0303   .5282   .1887 .0100  .0069  .0126  .0088 -.0005 -.0015 -.0001
O(4)    .4213   .4960   .2239 .0113  .0078  .0075  .0160  .0022  .0010 -.0027
O(5)    .0276   .0691   .1928 .0105  .0079  .0154  .0087  .0006 -.0013  .0045
O(6)    .4186   .1302   .2379 .0127  .0080  .0170  .0166 -.0022 -.0007  .0116
O(7)    .2242   .1383   .5361 .0140  .0246  .0106  .0060 -.0003  .0001  .0005
O(8)    .2316   .6243   .5310 .0136  .0196  .0142  .0070  .0007  .0006  .0029
O(9)    .2661  -.1783   .2782 .0211  .0329  .0054  .0274  .0036  .0126  .0055


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