The structure described by BaMnO3 is (Cubic) Perovskite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with nine equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Mn(2)O6 octahedra, faces with eight equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Ba(2), three equivalent Ba(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_BaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.738
_cell_length_b   7.738
_cell_length_c   7.738
_cell_angle_alpha   43.166
_cell_angle_beta   43.166
_cell_angle_gamma   43.166
_symmetry_Int_Tables_number   1
_cell_volume   196.581
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.781  0.781  0.781  1.0
  Ba  Ba1  1  0.219  0.219  0.219  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.619  0.619  0.619  1.0
  Mn  Mn4  1  0.381  0.381  0.381  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.295  0.295  0.734  1.0
  O  O10  1  0.734  0.295  0.295  1.0
  O  O11  1  0.295  0.734  0.295  1.0
  O  O12  1  0.266  0.705  0.705  1.0
  O  O13  1  0.705  0.705  0.266  1.0
  O  O14  1  0.705  0.266  0.705  1.0
[/CIF]
.
The structure described by BaMnO3 is (Cubic) Perovskite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with nine equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Mn(2)O6 octahedra, faces with eight equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Ba(2), three equivalent Ba(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_BaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.738
_cell_length_b   7.738
_cell_length_c   7.738
_cell_angle_alpha   43.166
_cell_angle_beta   43.166
_cell_angle_gamma   43.166
_symmetry_Int_Tables_number   1
_cell_volume   196.581
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.781  0.781  0.781  1.0
  Ba  Ba1  1  0.219  0.219  0.219  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.619  0.619  0.619  1.0
  Mn  Mn4  1  0.381  0.381  0.381  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.295  0.295  0.734  1.0
  O  O10  1  0.734  0.295  0.295  1.0
  O  O11  1  0.295  0.734  0.295  1.0
  O  O12  1  0.266  0.705  0.705  1.0
  O  O13  1  0.705  0.705  0.266  1.0
  O  O14  1  0.705  0.266  0.705  1.0
[/CIF]
.