data_global
_amcsd_formula_title 'BaMnO39'
loop_
_publ_author_name
'Boullay P'
'Hervieu M'
'Labbe P'
'Raveau B'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 32 
_journal_year 1997
_journal_page_first 35
_journal_page_last 42
_publ_section_title
;
 Single crystal and HREM study of the "Bi-Sr" stabilized BaMnO39 R polytype
 _cod_database_code 1001718
;
_database_code_amcsd 0014378
_chemical_formula_sum 'Ba Mn O3'
_cell_length_a 5.663
_cell_length_b 5.663
_cell_length_c 20.95499
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 581.984
_exptl_crystal_density_diffrn      6.170
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.00000   0.00000   0.00000
Ba2   0.00000   0.00000   0.21859
Mn1   0.00000   0.00000   0.50000
Mn2   0.00000   0.00000   0.38145
O1   0.14890   0.85110   0.55840
O2   0.50000   0.00000   0.00000