American Mineralogist Crystal Structure Database

1 matching records for this search.

Ba3 F8 O4 V2
 
Crosnier-Lopez M, Duroy H, Fourquet J
Zeitschrift fur Anorganische und Allgemeine Chemie 619 (1993) 1597-1602
Ba3V2O4F8:(V4(O,F)20)^8-^ tetrameric groups of octahedra
inserted in a tridimensional network of (FBa4) tetrahedra
_cod_database_code 1000345
_database_code_amcsd 0015800
9.945 10.277 9.673 90 90 90 Pnnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0    .5 .2537      .0089  .0098  .0479  .0002      0      0
Ba2  .2040 .2168     0      .0171  .0132  .0105  .0031      0      0
Ba3  .6639 .3496     0      .0178  .0144  .0169  .0014      0      0
V1   .3643 .3937 .3030      .0188  .0146  .0169  .0039  .0030  .0001
O1       0     0 .1358      .0291  .0514  .0139  .0217      0      0
F1   .7166 .5863    .5      .0140  .0173  .0168  .0028      0      0
F2   .4615 .1413     0      .0242  .0257  .0228 -.0028      0      0
F3   .1431 .4668     0      .0153  .0155  .0287 -.0028      0      0
O2   .1930 .3136 .2712 .25  .0155  .0115  .0201  -.003 -.0033  .0002
F4   .1930 .3136 .2712 .75  .0155  .0115  .0201  -.003 -.0033  .0002
O3   .0669 .7451 .1402 .25  .0241  .0274  .0264 -.0061 -.0033  .0041
F5   .0669 .7451 .1402 .75  .0241  .0274  .0264 -.0061 -.0033  .0041
O4   .4106 .3908 .1356      .0236  .0392  .0235 -.0004  .0023 -.0011
F6   .2608 .5580 .2755      .0184  .0103  .0178 -.0040 -.0056  .0014
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