data_global
_amcsd_formula_title 'Ba2 Cl F7 Mn Ni'
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 1000448
;
_database_code_amcsd 0013927
_chemical_formula_sum 'Ba2 (Mn Ni) Cl F7'
_cell_length_a 7.746
_cell_length_b 5.820
_cell_length_c 8.898
_cell_angle_alpha 90
_cell_angle_beta 106.63
_cell_angle_gamma 90
_cell_volume 384.359
_exptl_crystal_density_diffrn      4.810
_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
_atom_site_occupancy
Ba1   0.32300   0.25000   0.57600   1.00000
Ba2   0.32300   0.25000   0.08100   1.00000
Mn1   0.83000   0.25000   0.72300   0.50000
Ni1   0.83000   0.25000   0.72300   0.50000
Mn2   0.79900   0.25000   0.16400   0.50000
Ni2   0.79900   0.25000   0.16400   0.50000
Cl1   0.88100   0.25000   0.46300   1.00000
F1   0.63400   0.00400   0.16100   1.00000
F2  -0.02700  -0.03200   0.82300   1.00000
F3   0.63100   0.00900   0.65600   1.00000
F4   0.74700   0.25000   0.93800   1.00000