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