The compound described by BiMn7O12 crystallizes in the monoclinic Cm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. In the third Mn site, Mn(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(6) and two equivalent O(8) atoms. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. Bi(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(5) atoms. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Mn(1), two equivalent Mn(4), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), two equivalent Mn(5), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), one Mn(5), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. is represented by the CIF file [CIF]
data_Mn7BiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.558
_cell_length_b   6.558
_cell_length_c   7.625
_cell_angle_alpha   54.854
_cell_angle_beta   54.854
_cell_angle_gamma   69.999
_symmetry_Int_Tables_number   1
_cell_volume   219.211
_cell_formula_units_Z   1
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  0.006  0.006  0.490  1.0
  Mn  Mn1  1  0.500  0.500  0.003  1.0
  Mn  Mn2  1  0.497  0.497  0.502  1.0
  Mn  Mn3  1  0.514  0.998  0.999  1.0
  Mn  Mn4  1  0.998  0.514  0.999  1.0
  Mn  Mn5  1  0.500  0.998  0.497  1.0
  Mn  Mn6  1  0.998  0.500  0.497  1.0
  Bi  Bi7  1  0.033  0.033  0.988  1.0
  O  O8  1  0.835  0.835  0.850  1.0
  O  O9  1  0.189  0.189  0.488  1.0
  O  O10  1  0.174  0.174  0.122  1.0
  O  O11  1  0.826  0.826  0.481  1.0
  O  O12  1  0.683  0.300  0.837  1.0
  O  O13  1  0.300  0.683  0.837  1.0
  O  O14  1  0.476  0.130  0.687  1.0
  O  O15  1  0.130  0.476  0.687  1.0
  O  O16  1  0.323  0.707  0.162  1.0
  O  O17  1  0.707  0.323  0.162  1.0
  O  O18  1  0.500  0.860  0.328  1.0
  O  O19  1  0.860  0.500  0.328  1.0
[/CIF]
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The compound described by BiMn7O12 crystallizes in the monoclinic Cm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. In the third Mn site, Mn(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(6) and two equivalent O(8) atoms. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. Bi(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(5) atoms. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Mn(1), two equivalent Mn(4), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), two equivalent Mn(5), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), one Mn(5), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. is represented by the CIF file [CIF]
data_Mn7BiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.558
_cell_length_b   6.558
_cell_length_c   7.625
_cell_angle_alpha   54.854
_cell_angle_beta   54.854
_cell_angle_gamma   69.999
_symmetry_Int_Tables_number   1
_cell_volume   219.211
_cell_formula_units_Z   1
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  0.006  0.006  0.490  1.0
  Mn  Mn1  1  0.500  0.500  0.003  1.0
  Mn  Mn2  1  0.497  0.497  0.502  1.0
  Mn  Mn3  1  0.514  0.998  0.999  1.0
  Mn  Mn4  1  0.998  0.514  0.999  1.0
  Mn  Mn5  1  0.500  0.998  0.497  1.0
  Mn  Mn6  1  0.998  0.500  0.497  1.0
  Bi  Bi7  1  0.033  0.033  0.988  1.0
  O  O8  1  0.835  0.835  0.850  1.0
  O  O9  1  0.189  0.189  0.488  1.0
  O  O10  1  0.174  0.174  0.122  1.0
  O  O11  1  0.826  0.826  0.481  1.0
  O  O12  1  0.683  0.300  0.837  1.0
  O  O13  1  0.300  0.683  0.837  1.0
  O  O14  1  0.476  0.130  0.687  1.0
  O  O15  1  0.130  0.476  0.687  1.0
  O  O16  1  0.323  0.707  0.162  1.0
  O  O17  1  0.707  0.323  0.162  1.0
  O  O18  1  0.500  0.860  0.328  1.0
  O  O19  1  0.860  0.500  0.328  1.0
[/CIF]
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