data_global
_amcsd_formula_title 'Ba Fe0.233 Mn0.767 O2.87'
loop_
_publ_author_name
'Caignaert V'
'Hervieu M'
'Domenges B'
'Nguyen N'
'Pannetier J'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 73 
_journal_year 1988
_journal_page_first 107
_journal_page_last 117
_publ_section_title
;
 BaMn1-xFexO3-d, and Oxygen-Deficient 6H' Oxide Electron
 Microscopy, Powder Neutron Diffraction, and Mossbauer Study
 _cod_database_code 1001348
;
_database_code_amcsd 0013610
_chemical_formula_sum 'Ba (Mn.77 Fe.23) O2.87'
_cell_length_a 5.687
_cell_length_b 5.687
_cell_length_c 14.167
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 396.803
_exptl_crystal_density_diffrn      5.986
_symmetry_space_group_name_H-M 'P -6 m 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,x-y,-z'
  '-x+y,-x,-z'
  '-y,-x,z'
  '-y,x-y,z'
  '-x+y,y,-z'
  'x,y,-z'
  'x,x-y,z'
  '-x+y,-x,z'
  '-y,-x,-z'
  '-y,x-y,-z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.00000   0.00000   0.00000   1.00000
Ba2   0.33333   0.66667   0.50000   1.00000
Ba3   0.33333   0.66667   0.17800   1.00000
Ba4   0.66667   0.33333   0.34200   1.00000
Mn1   0.00000   0.00000   0.24300   0.87000
Fe1   0.00000   0.00000   0.24300   0.13000
Mn2   0.00000   0.00000   0.41700   0.98000
Fe2   0.00000   0.00000   0.41700   0.02000
Mn3   0.66667   0.33333   0.11300   0.46000
Fe3   0.66667   0.33333   0.11300   0.54000
O1   0.84800   0.69600   0.50000   1.00000
O2   0.52300   0.04600   0.00000   0.74000
O3   0.83600   0.67200   0.16600   1.00000
O4   0.15200   0.30400   0.32900   1.00000