data_global
_amcsd_formula_title 'Ba(BF4)2'
loop_
_publ_author_name
'Bunic T'
'Tavcar G'
'Goreshnik E'
'Zemva B'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 63 
_journal_year 2007
_journal_page_first i75
_journal_page_last i76
_publ_section_title
;
 Strontium tetrafluoridoborate and barium tetrafluoridoborate
;
_database_code_amcsd 0010335
_chemical_formula_sum 'Ba B2 F8'
_cell_length_a 12.513
_cell_length_b 5.0135
_cell_length_c 4.7628
_cell_angle_alpha 90
_cell_angle_beta 111.854
_cell_angle_gamma 90
_cell_volume 277.317
_exptl_crystal_density_diffrn      3.724
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba1   0.00000   0.00000   1.00000   0.01510
B   0.15310   0.50000   0.70840   0.01180
F1   0.10100   0.50000   0.92730   0.01520
F2   0.27040   0.50000   0.85070   0.01560
F3   0.11540   0.27180   0.53230   0.02060
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 0.01490 0.01450 0.01350 0.00000 0.00260 0.00000
B 0.01600 0.00900 0.00800 0.00000 0.00300 0.00000
F1 0.01600 0.01700 0.01400 0.00000 0.00760 0.00000
F2 0.01060 0.01700 0.01800 0.00000 0.00380 0.00000
F3 0.02230 0.01680 0.01890 0.00110 0.00340 -0.00930