The material structure described by BiMnO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-32°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-36°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-36°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(3), and two equivalent Bi(1) atoms. In the second O site, O(6) is bonded to one Mn(2), one Mn(3), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OMn2Bi2 tetrahedra. In the third O site, O(1) is bonded to one Mn(2), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OMn2Bi2 tetrahedra. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), and two equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_MnBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   9.817
_cell_length_c   10.022
_cell_angle_alpha   68.608
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.994
_cell_formula_units_Z   8
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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.476  0.253  0.758  1.0
  Mn  Mn5  1  0.976  0.747  0.742  1.0
  Mn  Mn6  1  0.524  0.747  0.242  1.0
  Mn  Mn7  1  0.024  0.253  0.258  1.0
  Bi  Bi8  1  0.021  0.377  0.859  1.0
  Bi  Bi9  1  0.521  0.623  0.641  1.0
  Bi  Bi10  1  0.979  0.623  0.141  1.0
  Bi  Bi11  1  0.479  0.377  0.359  1.0
  Bi  Bi12  1  0.469  0.113  0.124  1.0
  Bi  Bi13  1  0.969  0.887  0.376  1.0
  Bi  Bi14  1  0.531  0.887  0.876  1.0
  Bi  Bi15  1  0.031  0.113  0.624  1.0
  O  O16  1  0.561  0.665  0.058  1.0
  O  O17  1  0.061  0.335  0.442  1.0
  O  O18  1  0.439  0.335  0.942  1.0
  O  O19  1  0.939  0.665  0.558  1.0
  O  O20  1  0.564  0.868  0.391  1.0
  O  O21  1  0.064  0.132  0.109  1.0
  O  O22  1  0.436  0.132  0.609  1.0
  O  O23  1  0.936  0.868  0.891  1.0
  O  O24  1  0.673  0.855  0.664  1.0
  O  O25  1  0.173  0.145  0.836  1.0
  O  O26  1  0.327  0.145  0.336  1.0
  O  O27  1  0.827  0.855  0.164  1.0
  O  O28  1  0.169  0.899  0.604  1.0
  O  O29  1  0.669  0.101  0.896  1.0
  O  O30  1  0.831  0.101  0.396  1.0
  O  O31  1  0.331  0.899  0.104  1.0
  O  O32  1  0.237  0.610  0.828  1.0
  O  O33  1  0.737  0.390  0.672  1.0
  O  O34  1  0.763  0.390  0.172  1.0
  O  O35  1  0.263  0.610  0.328  1.0
  O  O36  1  0.253  0.421  0.159  1.0
  O  O37  1  0.753  0.579  0.341  1.0
  O  O38  1  0.747  0.579  0.841  1.0
  O  O39  1  0.247  0.421  0.659  1.0
[/CIF]
.
The material structure described by BiMnO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-32°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-36°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-36°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(3), and two equivalent Bi(1) atoms. In the second O site, O(6) is bonded to one Mn(2), one Mn(3), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OMn2Bi2 tetrahedra. In the third O site, O(1) is bonded to one Mn(2), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OMn2Bi2 tetrahedra. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), and two equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_MnBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   9.817
_cell_length_c   10.022
_cell_angle_alpha   68.608
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.994
_cell_formula_units_Z   8
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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.476  0.253  0.758  1.0
  Mn  Mn5  1  0.976  0.747  0.742  1.0
  Mn  Mn6  1  0.524  0.747  0.242  1.0
  Mn  Mn7  1  0.024  0.253  0.258  1.0
  Bi  Bi8  1  0.021  0.377  0.859  1.0
  Bi  Bi9  1  0.521  0.623  0.641  1.0
  Bi  Bi10  1  0.979  0.623  0.141  1.0
  Bi  Bi11  1  0.479  0.377  0.359  1.0
  Bi  Bi12  1  0.469  0.113  0.124  1.0
  Bi  Bi13  1  0.969  0.887  0.376  1.0
  Bi  Bi14  1  0.531  0.887  0.876  1.0
  Bi  Bi15  1  0.031  0.113  0.624  1.0
  O  O16  1  0.561  0.665  0.058  1.0
  O  O17  1  0.061  0.335  0.442  1.0
  O  O18  1  0.439  0.335  0.942  1.0
  O  O19  1  0.939  0.665  0.558  1.0
  O  O20  1  0.564  0.868  0.391  1.0
  O  O21  1  0.064  0.132  0.109  1.0
  O  O22  1  0.436  0.132  0.609  1.0
  O  O23  1  0.936  0.868  0.891  1.0
  O  O24  1  0.673  0.855  0.664  1.0
  O  O25  1  0.173  0.145  0.836  1.0
  O  O26  1  0.327  0.145  0.336  1.0
  O  O27  1  0.827  0.855  0.164  1.0
  O  O28  1  0.169  0.899  0.604  1.0
  O  O29  1  0.669  0.101  0.896  1.0
  O  O30  1  0.831  0.101  0.396  1.0
  O  O31  1  0.331  0.899  0.104  1.0
  O  O32  1  0.237  0.610  0.828  1.0
  O  O33  1  0.737  0.390  0.672  1.0
  O  O34  1  0.763  0.390  0.172  1.0
  O  O35  1  0.263  0.610  0.328  1.0
  O  O36  1  0.253  0.421  0.159  1.0
  O  O37  1  0.753  0.579  0.341  1.0
  O  O38  1  0.747  0.579  0.841  1.0
  O  O39  1  0.247  0.421  0.659  1.0
[/CIF]
.