The material structure described by BiMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and two equivalent Bi(1) atoms to form distorted corner-sharing OMn2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mn(1) and three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_MnBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.737
_cell_length_b   5.603
_cell_length_c   7.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.340
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  1.000  1.000  1.0
  Bi  Bi4  1  0.545  0.494  0.750  1.0
  Bi  Bi5  1  0.045  0.006  0.750  1.0
  Bi  Bi6  1  0.455  0.506  0.250  1.0
  Bi  Bi7  1  0.955  0.994  0.250  1.0
  O  O8  1  0.965  0.604  0.750  1.0
  O  O9  1  0.465  0.896  0.750  1.0
  O  O10  1  0.035  0.396  0.250  1.0
  O  O11  1  0.535  0.104  0.250  1.0
  O  O12  1  0.289  0.325  0.951  1.0
  O  O13  1  0.789  0.175  0.549  1.0
  O  O14  1  0.711  0.675  0.451  1.0
  O  O15  1  0.211  0.825  0.049  1.0
  O  O16  1  0.711  0.675  0.049  1.0
  O  O17  1  0.211  0.825  0.451  1.0
  O  O18  1  0.289  0.325  0.549  1.0
  O  O19  1  0.789  0.175  0.951  1.0
[/CIF]
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The material structure described by BiMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and two equivalent Bi(1) atoms to form distorted corner-sharing OMn2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mn(1) and three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_MnBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.737
_cell_length_b   5.603
_cell_length_c   7.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.340
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  1.000  1.000  1.0
  Bi  Bi4  1  0.545  0.494  0.750  1.0
  Bi  Bi5  1  0.045  0.006  0.750  1.0
  Bi  Bi6  1  0.455  0.506  0.250  1.0
  Bi  Bi7  1  0.955  0.994  0.250  1.0
  O  O8  1  0.965  0.604  0.750  1.0
  O  O9  1  0.465  0.896  0.750  1.0
  O  O10  1  0.035  0.396  0.250  1.0
  O  O11  1  0.535  0.104  0.250  1.0
  O  O12  1  0.289  0.325  0.951  1.0
  O  O13  1  0.789  0.175  0.549  1.0
  O  O14  1  0.711  0.675  0.451  1.0
  O  O15  1  0.211  0.825  0.049  1.0
  O  O16  1  0.711  0.675  0.049  1.0
  O  O17  1  0.211  0.825  0.451  1.0
  O  O18  1  0.289  0.325  0.549  1.0
  O  O19  1  0.789  0.175  0.951  1.0
[/CIF]
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