data_global
_amcsd_formula_title 'BaZnF4'
loop_
_publ_author_name
'Lapasset J'
'Bordallo H'
'Almairac R'
'Nouet J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 211 
_journal_year 1996
_journal_page_first 934
_journal_page_last 935
_publ_section_title
;
 Redetermination of the crystal structure of barium tetrafluorozincate, BaZnF4,
 at 295 K and 113 K
 Note: T = 113 K
;
_database_code_amcsd 0011069
_chemical_formula_sum 'Ba Zn F4'
_cell_length_a 4.1843
_cell_length_b 14.496
_cell_length_c 5.8253
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 353.337
_exptl_crystal_density_diffrn      5.239
_symmetry_space_group_name_H-M 'C m c 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.50000   0.35232   0.46138
Zn1   0.00000   0.41301   0.00000
F1   0.00000   0.30200   0.19970
F2   0.00000   0.33310  -0.27080
F3   0.00000   0.47090   0.32560
F4   0.50000   0.42250   0.01260
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 0.00257 0.00830 0.00660 0.00000 0.00000 0.00306
Zn1 0.00350 0.00402 0.00390 0.00000 0.00000 0.00019
F1 0.00950 0.00520 0.00680 0.00000 0.00000 0.00040
F2 0.00740 0.00850 0.00550 0.00000 0.00000 -0.00020
F3 0.01020 0.00460 0.00920 0.00000 0.00000 -0.00240
F4 0.00480 0.01610 0.01260 0.00000 0.00000 0.00410