Ba7 F32 Fe6 H4 O2
Crosnier-Lopez M, Calage Y, Duroy H, Fourquet J
Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 1025-1032
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new
defective jarlite-type compound
_cod_database_code 1000375
_database_code_amcsd 0015812
17.02299 11.482 7.624 90 101.13 90 C2/m
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0     0     0  .0084  .0090  .0132      0  .0005      0
Ba2  .2644     0 .1287  .0121  .0118  .0135      0  .0033      0
Ba3  .1407 .2946 .3026  .0120  .0208  .0130 -.0016  .0018 -.0020
Fe1  .1754     0 .5445  .0113  .0088  .0079      0  .0015      0
Fe2  .1109 .2432 .7998  .0109  .0103  .0104 -.0009  .0032 -.0003
F1   .3852 .1312 .0323  .0249  .0165  .0174 -.0032  .0085 -.0057
F2   .4059 .1437 .3878  .0378  .0309  .0176  .0119  .0098  .0112
F3   .2767 .2413 .1884  .0128  .0247  .0192 -.0042  .0067 -.0010
F4   .1331 .1322 .9990  .0130  .0165  .0245 -.0004  .0007  .0107
F5   .2383 .1171 .4548  .0245  .0234  .0192 -.0095  .0010  .0050
F6   .0013 .2075 .7968  .0103  .0183  .0274  .0017  .0031  .0025
F7   .1104 .1198 .6193  .0234  .0372  .0431  .0103 -.0043 -.0300
F8   .2568     0 .7600  .0204  .0252  .0093      0 -.0024      0
F9   .1129     0 .3083  .0213  .0453  .0134      0 -.0043      0
O10  .4610     0 .7342  .0364  .0302  .0509      0   .020      0