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The RRUFF Project is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional. Existing RRUFF.info links will resolve to the new site after RRUFF.net is officially released.

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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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