American Mineralogist Crystal Structure Database

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LiMnFeF6
 
Courbion G, Jacoboni C, de Pape R
Journal of Solid State Chemistry 45 (1982) 127-134
The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the
Structural Type Na2SiF6
_cod_database_code 1000184
_database_code_amcsd 0013495
8.684 8.684 4.657 90 90 120 P321
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li1      0     0     0
Li2    1/3   2/3 .5055
Mn1  .3545     0     0  .0074  .0083  .0068  .0041  .0002  .0004
Fe1  .6875     0    .5  .0061  .0056  .0067  .0028  .0001  .0002
F1   .5311 .4235 .2709  .0093  .0115  .0110  .0050  .0035  .0041
F2   .2214 .4374 .2769  .0115  .0098  .0112  .0060 -.0039 -.0005
F3   .2215 .1130 .2435  .0111  .0100  .0106  .0055 -.0013 -.0041
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