The material structure described by Mn6PbO12 crystallizes in the monoclinic C2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), one O(7), one O(8), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Mn site, Mn(3) is bonded to one O(4), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(8), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. Pb(1) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the second O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to one Mn(4), two equivalent Mn(1), and one Pb(1) atom. In the fourth O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth O site, O(8) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the sixth O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(1) atoms. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(2), and one Pb(1) atom. In the eighth O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn6PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.096
_cell_length_c   9.614
_cell_angle_alpha   54.500
_cell_angle_beta   54.500
_cell_angle_gamma   65.139
_symmetry_Int_Tables_number   1
_cell_volume   414.372
_cell_formula_units_Z   2
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  0.670  0.002  0.816  1.0
  Mn  Mn1  1  0.187  0.519  0.480  1.0
  Mn  Mn2  1  0.854  0.854  0.474  1.0
  Mn  Mn3  1  0.813  0.481  0.520  1.0
  Mn  Mn4  1  0.330  0.998  0.184  1.0
  Mn  Mn5  1  0.998  0.330  0.184  1.0
  Mn  Mn6  1  0.333  0.333  0.819  1.0
  Mn  Mn7  1  0.002  0.670  0.816  1.0
  Mn  Mn8  1  0.519  0.187  0.480  1.0
  Mn  Mn9  1  0.481  0.813  0.520  1.0
  Mn  Mn10  1  0.146  0.146  0.526  1.0
  Mn  Mn11  1  0.667  0.667  0.181  1.0
  Pb  Pb12  1  0.276  0.724  0.000  1.0
  Pb  Pb13  1  0.724  0.276  0.000  1.0
  O  O14  1  0.705  0.705  0.944  1.0
  O  O15  1  0.015  0.675  0.347  1.0
  O  O16  1  0.675  0.015  0.347  1.0
  O  O17  1  0.681  0.014  0.609  1.0
  O  O18  1  0.014  0.681  0.609  1.0
  O  O19  1  0.043  0.043  0.281  1.0
  O  O20  1  0.710  0.378  0.278  1.0
  O  O21  1  0.378  0.710  0.278  1.0
  O  O22  1  0.986  0.319  0.391  1.0
  O  O23  1  0.985  0.325  0.653  1.0
  O  O24  1  0.033  0.371  0.944  1.0
  O  O25  1  0.371  0.033  0.944  1.0
  O  O26  1  0.295  0.295  0.056  1.0
  O  O27  1  0.967  0.629  0.056  1.0
  O  O28  1  0.341  0.341  0.356  1.0
  O  O29  1  0.349  0.349  0.609  1.0
  O  O30  1  0.290  0.622  0.722  1.0
  O  O31  1  0.622  0.290  0.722  1.0
  O  O32  1  0.957  0.957  0.719  1.0
  O  O33  1  0.651  0.651  0.391  1.0
  O  O34  1  0.319  0.986  0.391  1.0
  O  O35  1  0.659  0.659  0.644  1.0
  O  O36  1  0.325  0.985  0.653  1.0
  O  O37  1  0.629  0.967  0.056  1.0
[/CIF]
.
The material structure described by Mn6PbO12 crystallizes in the monoclinic C2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), one O(7), one O(8), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Mn site, Mn(3) is bonded to one O(4), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(8), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. Pb(1) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the second O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to one Mn(4), two equivalent Mn(1), and one Pb(1) atom. In the fourth O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth O site, O(8) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the sixth O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(1) atoms. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(2), and one Pb(1) atom. In the eighth O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn6PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.096
_cell_length_c   9.614
_cell_angle_alpha   54.500
_cell_angle_beta   54.500
_cell_angle_gamma   65.139
_symmetry_Int_Tables_number   1
_cell_volume   414.372
_cell_formula_units_Z   2
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  0.670  0.002  0.816  1.0
  Mn  Mn1  1  0.187  0.519  0.480  1.0
  Mn  Mn2  1  0.854  0.854  0.474  1.0
  Mn  Mn3  1  0.813  0.481  0.520  1.0
  Mn  Mn4  1  0.330  0.998  0.184  1.0
  Mn  Mn5  1  0.998  0.330  0.184  1.0
  Mn  Mn6  1  0.333  0.333  0.819  1.0
  Mn  Mn7  1  0.002  0.670  0.816  1.0
  Mn  Mn8  1  0.519  0.187  0.480  1.0
  Mn  Mn9  1  0.481  0.813  0.520  1.0
  Mn  Mn10  1  0.146  0.146  0.526  1.0
  Mn  Mn11  1  0.667  0.667  0.181  1.0
  Pb  Pb12  1  0.276  0.724  0.000  1.0
  Pb  Pb13  1  0.724  0.276  0.000  1.0
  O  O14  1  0.705  0.705  0.944  1.0
  O  O15  1  0.015  0.675  0.347  1.0
  O  O16  1  0.675  0.015  0.347  1.0
  O  O17  1  0.681  0.014  0.609  1.0
  O  O18  1  0.014  0.681  0.609  1.0
  O  O19  1  0.043  0.043  0.281  1.0
  O  O20  1  0.710  0.378  0.278  1.0
  O  O21  1  0.378  0.710  0.278  1.0
  O  O22  1  0.986  0.319  0.391  1.0
  O  O23  1  0.985  0.325  0.653  1.0
  O  O24  1  0.033  0.371  0.944  1.0
  O  O25  1  0.371  0.033  0.944  1.0
  O  O26  1  0.295  0.295  0.056  1.0
  O  O27  1  0.967  0.629  0.056  1.0
  O  O28  1  0.341  0.341  0.356  1.0
  O  O29  1  0.349  0.349  0.609  1.0
  O  O30  1  0.290  0.622  0.722  1.0
  O  O31  1  0.622  0.290  0.722  1.0
  O  O32  1  0.957  0.957  0.719  1.0
  O  O33  1  0.651  0.651  0.391  1.0
  O  O34  1  0.319  0.986  0.391  1.0
  O  O35  1  0.659  0.659  0.644  1.0
  O  O36  1  0.325  0.985  0.653  1.0
  O  O37  1  0.629  0.967  0.056  1.0
[/CIF]
.