data_global
_amcsd_formula_title 'Ba3 F8 O4 V2'
loop_
_publ_author_name
'Crosnier-Lopez M'
'Duroy H'
'Fourquet J'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 619 
_journal_year 1993
_journal_page_first 1597
_journal_page_last 1602
_publ_section_title
;
 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
_chemical_formula_sum 'Ba3 V2 O4 F8'
_cell_length_a 9.945
_cell_length_b 10.277
_cell_length_c 9.673
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 988.627
_exptl_crystal_density_diffrn      4.904
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.00000   0.50000   0.25370   1.00000
Ba2   0.20400   0.21680   0.00000   1.00000
Ba3   0.66390   0.34960   0.00000   1.00000
V1   0.36430   0.39370   0.30300   1.00000
O1   0.00000   0.00000   0.13580   1.00000
F1   0.71660   0.58630   0.50000   1.00000
F2   0.46150   0.14130   0.00000   1.00000
F3   0.14310   0.46680   0.00000   1.00000
O2   0.19300   0.31360   0.27120   0.25000
F4   0.19300   0.31360   0.27120   0.75000
O3   0.06690   0.74510   0.14020   0.25000
F5   0.06690   0.74510   0.14020   0.75000
O4   0.41060   0.39080   0.13560   1.00000
F6   0.26080   0.55800   0.27550   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba1 0.00890 0.00980 0.04790 0.00020 0.00000 0.00000
Ba2 0.01710 0.01320 0.01050 0.00310 0.00000 0.00000
Ba3 0.01780 0.01440 0.01690 0.00140 0.00000 0.00000
V1 0.01880 0.01460 0.01690 0.00390 0.00300 0.00010
O1 0.02910 0.05140 0.01390 0.02170 0.00000 0.00000
F1 0.01400 0.01730 0.01680 0.00280 0.00000 0.00000
F2 0.02420 0.02570 0.02280 -0.00280 0.00000 0.00000
F3 0.01530 0.01550 0.02870 -0.00280 0.00000 0.00000
O2 0.01550 0.01150 0.02010 -0.00300 -0.00330 0.00020
F4 0.01550 0.01150 0.02010 -0.00300 -0.00330 0.00020
O3 0.02410 0.02740 0.02640 -0.00610 -0.00330 0.00410
F5 0.02410 0.02740 0.02640 -0.00610 -0.00330 0.00410
O4 0.02360 0.03920 0.02350 -0.00040 0.00230 -0.00110
F6 0.01840 0.01030 0.01780 -0.00400 -0.00560 0.00140