The compound 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 in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Bi(1)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-74°. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Bi(1) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMn2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMn2Bi2 trigonal pyramids. is represented by the CIF card [CIF]
data_MnBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   10.500
_cell_length_c   11.047
_cell_angle_alpha   60.650
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   554.782
_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  0.531  0.698  0.720  1.0
  Mn  Mn1  1  0.031  0.302  0.780  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  Mn  Mn4  1  0.469  0.302  0.280  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.969  0.698  0.220  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  Bi  Bi8  1  0.479  0.300  0.976  1.0
  Bi  Bi9  1  0.979  0.700  0.524  1.0
  Bi  Bi10  1  0.021  0.300  0.476  1.0
  Bi  Bi11  1  0.501  0.150  0.735  1.0
  Bi  Bi12  1  0.521  0.700  0.024  1.0
  Bi  Bi13  1  0.001  0.850  0.765  1.0
  Bi  Bi14  1  0.499  0.850  0.265  1.0
  Bi  Bi15  1  0.999  0.150  0.235  1.0
  O  O16  1  0.834  0.378  0.615  1.0
  O  O17  1  0.595  0.892  0.826  1.0
  O  O18  1  0.922  0.652  0.047  1.0
  O  O19  1  0.166  0.380  0.183  1.0
  O  O20  1  0.283  0.838  0.605  1.0
  O  O21  1  0.405  0.108  0.174  1.0
  O  O22  1  0.905  0.892  0.326  1.0
  O  O23  1  0.666  0.378  0.115  1.0
  O  O24  1  0.264  0.130  0.907  1.0
  O  O25  1  0.334  0.380  0.683  1.0
  O  O26  1  0.578  0.652  0.547  1.0
  O  O27  1  0.334  0.622  0.885  1.0
  O  O28  1  0.078  0.348  0.953  1.0
  O  O29  1  0.736  0.870  0.093  1.0
  O  O30  1  0.666  0.620  0.317  1.0
  O  O31  1  0.422  0.348  0.453  1.0
  O  O32  1  0.166  0.622  0.385  1.0
  O  O33  1  0.783  0.162  0.895  1.0
  O  O34  1  0.834  0.620  0.817  1.0
  O  O35  1  0.717  0.162  0.395  1.0
  O  O36  1  0.236  0.130  0.407  1.0
  O  O37  1  0.217  0.838  0.105  1.0
  O  O38  1  0.095  0.108  0.674  1.0
  O  O39  1  0.764  0.870  0.593  1.0
[/CIF]
.
The compound 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 in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Bi(1)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-74°. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Bi(1) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMn2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMn2Bi2 trigonal pyramids. is represented by the CIF card [CIF]
data_MnBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   10.500
_cell_length_c   11.047
_cell_angle_alpha   60.650
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   554.782
_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  0.531  0.698  0.720  1.0
  Mn  Mn1  1  0.031  0.302  0.780  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  Mn  Mn4  1  0.469  0.302  0.280  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.969  0.698  0.220  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  Bi  Bi8  1  0.479  0.300  0.976  1.0
  Bi  Bi9  1  0.979  0.700  0.524  1.0
  Bi  Bi10  1  0.021  0.300  0.476  1.0
  Bi  Bi11  1  0.501  0.150  0.735  1.0
  Bi  Bi12  1  0.521  0.700  0.024  1.0
  Bi  Bi13  1  0.001  0.850  0.765  1.0
  Bi  Bi14  1  0.499  0.850  0.265  1.0
  Bi  Bi15  1  0.999  0.150  0.235  1.0
  O  O16  1  0.834  0.378  0.615  1.0
  O  O17  1  0.595  0.892  0.826  1.0
  O  O18  1  0.922  0.652  0.047  1.0
  O  O19  1  0.166  0.380  0.183  1.0
  O  O20  1  0.283  0.838  0.605  1.0
  O  O21  1  0.405  0.108  0.174  1.0
  O  O22  1  0.905  0.892  0.326  1.0
  O  O23  1  0.666  0.378  0.115  1.0
  O  O24  1  0.264  0.130  0.907  1.0
  O  O25  1  0.334  0.380  0.683  1.0
  O  O26  1  0.578  0.652  0.547  1.0
  O  O27  1  0.334  0.622  0.885  1.0
  O  O28  1  0.078  0.348  0.953  1.0
  O  O29  1  0.736  0.870  0.093  1.0
  O  O30  1  0.666  0.620  0.317  1.0
  O  O31  1  0.422  0.348  0.453  1.0
  O  O32  1  0.166  0.622  0.385  1.0
  O  O33  1  0.783  0.162  0.895  1.0
  O  O34  1  0.834  0.620  0.817  1.0
  O  O35  1  0.717  0.162  0.395  1.0
  O  O36  1  0.236  0.130  0.407  1.0
  O  O37  1  0.217  0.838  0.105  1.0
  O  O38  1  0.095  0.108  0.674  1.0
  O  O39  1  0.764  0.870  0.593  1.0
[/CIF]
.