data_global
_amcsd_formula_title 'Ba2 Cl F7 Ni2'
loop_
_publ_author_name
'Fompeyrine J'
'Darriet J'
'Maguer J'
'Greneche J'
'Courbion G'
'Roisnel T'
'Rodriguez-Carvajal J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 131 
_journal_year 1997
_journal_page_first 198
_journal_page_last 214
_publ_section_title
;
 Magnetic properties and neutron diffraction study of the chlorofluoride
 series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)
 _cod_database_code 1000447
;
_database_code_amcsd 0013926
_chemical_formula_sum 'Ba2 Ni2 Cl F7'
_cell_length_a 7.602
_cell_length_b 5.766
_cell_length_c 8.788
_cell_angle_alpha 90
_cell_angle_beta 106.72
_cell_angle_gamma 90
_cell_volume 368.920
_exptl_crystal_density_diffrn      5.045
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.31110   0.25000   0.58190
Ba2   0.30730   0.25000   0.06870
Ni1   0.82450   0.25000   0.71820
Ni2   0.81520   0.25000   0.17950
Cl1   0.88320   0.25000   0.47100
F1   0.63230   0.00380   0.15550
F2   0.00230  -0.00350   0.82690
F3   0.63400   0.00660   0.65610
F4   0.75600   0.25000   0.93630