The material structure described by PbMn3Mn4O12 crystallizes in the cubic Im-3 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. Pb(1) is bonded to twelve equivalent O(1) atoms to form PbO12 cuboctahedra that share faces with eight equivalent Mn(2)O6 octahedra. O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), two equivalent Mn(2), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn7PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.555
_cell_length_b   6.555
_cell_length_c   6.555
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   216.839
_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  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Pb  Pb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.182  0.869  0.687  1.0
  O  O9  1  0.818  0.131  0.313  1.0
  O  O10  1  0.818  0.506  0.687  1.0
  O  O11  1  0.182  0.494  0.313  1.0
  O  O12  1  0.869  0.687  0.182  1.0
  O  O13  1  0.131  0.313  0.818  1.0
  O  O14  1  0.506  0.687  0.818  1.0
  O  O15  1  0.494  0.313  0.182  1.0
  O  O16  1  0.687  0.182  0.869  1.0
  O  O17  1  0.313  0.818  0.131  1.0
  O  O18  1  0.687  0.818  0.506  1.0
  O  O19  1  0.313  0.182  0.494  1.0
[/CIF]
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The material structure described by PbMn3Mn4O12 crystallizes in the cubic Im-3 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. Pb(1) is bonded to twelve equivalent O(1) atoms to form PbO12 cuboctahedra that share faces with eight equivalent Mn(2)O6 octahedra. O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), two equivalent Mn(2), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn7PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.555
_cell_length_b   6.555
_cell_length_c   6.555
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   216.839
_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  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Pb  Pb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.182  0.869  0.687  1.0
  O  O9  1  0.818  0.131  0.313  1.0
  O  O10  1  0.818  0.506  0.687  1.0
  O  O11  1  0.182  0.494  0.313  1.0
  O  O12  1  0.869  0.687  0.182  1.0
  O  O13  1  0.131  0.313  0.818  1.0
  O  O14  1  0.506  0.687  0.818  1.0
  O  O15  1  0.494  0.313  0.182  1.0
  O  O16  1  0.687  0.182  0.869  1.0
  O  O17  1  0.313  0.818  0.131  1.0
  O  O18  1  0.687  0.818  0.506  1.0
  O  O19  1  0.313  0.182  0.494  1.0
[/CIF]
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