The compound described by BiMn7O12 crystallizes in the monoclinic C2/m space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to four equivalent O(4) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(5)O6 octahedra, and faces with two equivalent Bi(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. In the fifth Mn site, Mn(5) 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 two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra, and faces with two equivalent Bi(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-42°. Bi(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms to form BiO12 cuboctahedra that share faces with four equivalent Mn(4)O6 octahedra and faces with four equivalent Mn(5)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), two equivalent Mn(4), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), two equivalent Mn(5), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Mn7BiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.550
_cell_length_b   6.550
_cell_length_c   7.589
_cell_angle_alpha   54.872
_cell_angle_beta   54.872
_cell_angle_gamma   70.469
_symmetry_Int_Tables_number   1
_cell_volume   217.794
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.819  0.170  0.314  1.0
  O  O9  1  0.830  0.181  0.686  1.0
  O  O10  1  0.181  0.830  0.686  1.0
  O  O11  1  0.170  0.819  0.314  1.0
  O  O12  1  0.303  0.303  0.867  1.0
  O  O13  1  0.697  0.697  0.133  1.0
  O  O14  1  0.685  0.685  0.496  1.0
  O  O15  1  0.315  0.315  0.504  1.0
  O  O16  1  0.134  0.518  0.166  1.0
  O  O17  1  0.482  0.866  0.834  1.0
  O  O18  1  0.866  0.482  0.834  1.0
  O  O19  1  0.518  0.134  0.166  1.0
[/CIF]
.
The compound described by BiMn7O12 crystallizes in the monoclinic C2/m space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to four equivalent O(4) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(5)O6 octahedra, and faces with two equivalent Bi(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. In the fifth Mn site, Mn(5) 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 two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra, and faces with two equivalent Bi(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-42°. Bi(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms to form BiO12 cuboctahedra that share faces with four equivalent Mn(4)O6 octahedra and faces with four equivalent Mn(5)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), two equivalent Mn(4), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), two equivalent Mn(5), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Mn7BiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.550
_cell_length_b   6.550
_cell_length_c   7.589
_cell_angle_alpha   54.872
_cell_angle_beta   54.872
_cell_angle_gamma   70.469
_symmetry_Int_Tables_number   1
_cell_volume   217.794
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.819  0.170  0.314  1.0
  O  O9  1  0.830  0.181  0.686  1.0
  O  O10  1  0.181  0.830  0.686  1.0
  O  O11  1  0.170  0.819  0.314  1.0
  O  O12  1  0.303  0.303  0.867  1.0
  O  O13  1  0.697  0.697  0.133  1.0
  O  O14  1  0.685  0.685  0.496  1.0
  O  O15  1  0.315  0.315  0.504  1.0
  O  O16  1  0.134  0.518  0.166  1.0
  O  O17  1  0.482  0.866  0.834  1.0
  O  O18  1  0.866  0.482  0.834  1.0
  O  O19  1  0.518  0.134  0.166  1.0
[/CIF]
.