American Mineralogist Crystal Structure Database

1 matching records for this search.

K2FeF5
 
Le Bail A, Desert A, Fourquet J
 
Journal of Solid State Chemistry 84 (1990) 408-412
Reinvestigation of the structure of K2FeF5
_cod_database_code 1000090
_database_code_amcsd 0013675
7.4059 12.8771 20.4282 90 90 90 Pbcn
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1        0 .0729    .25  .0164  .0162  .0147      0  .0013      0
K2        0 .5374    .25  .0189  .0164  .0293      0 -.0059      0
K3    .1593 .0216  .4163  .0252  .0290  .0174  .0073 -.0020 -.0035
K4    .1472 .7881  .1634  .0257  .0247  .0235 -.0062 -.0044  .0075
K5    .4886 .2321 -.0065  .0172  .0178  .0186  .0025  .0007 -.0021
Fe1   .6684  .002  .4219  .0089  .0099  .0091 -.0003  .0010 -.0001
Fe2   .3372 .8030  .3286  .0089  .0116  .0086 -.0006  .0004 -.0001
F1   -.0059 .1986  .1406  .0293  .0187  .0220  .0090  .0103 -.0014
F2    .4957 .9046  .3767  .0214  .0218  .0246 -.0079 -.0041 -.0072
F3        0    .5      0  .0206  .0289  .0187  .0002 -.0153  .0031
F4        0 .3218    .25  .0188  .0279  .0155      0 -.0116      0
F5    .2978 .2057  .2790  .0243  .0265  .0163  .0122  .0011 -.0036
F6    .2223 .8801  .0402  .0186  .0176  .0248 -.0043 -.0014 -.0040
F7    .4724 .1098  .1119  .0324  .0219  .0325 -.0126 -.0050 -.0077
F8    .1817 .9925  .1518  .0310  .0280  .0182  .0059  .0165  .0046
F9    .1791 .9098  .5299  .0258  .0263  .0185 -.0159 -.0020 -.0038
F10   .2070 .9199  .2966  .0242  .0247  .0254  .0128 -.0013  .0044
F11   .3098 .2986  .4038  .0209  .0350  .0146  .0080 -.0094 -.0031
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