The material structure described by PbMn8O16 is zeta iron carbide-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(16), one O(2), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(1), one O(15), one O(2), one O(3), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Mn site, Mn(3) is bonded to one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-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(10), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(13), one O(14), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(12), one O(13), one O(14), one O(5), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(14), one O(15), one O(16), one O(2), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(10), one O(13), one O(15), one O(16), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Pb(1) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(2), and one O(6) atom. There are sixteen 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 Mn(8) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(7), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(3), one Mn(7), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(4), one Mn(7), and one Mn(8) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), one Mn(6), and one Pb(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Mn(7) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(7), one Mn(8), and one Pb(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom. is represented by the CIF card [CIF]
data_Mn8PbO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   7.017
_cell_length_c   7.059
_cell_angle_alpha   87.937
_cell_angle_beta   78.300
_cell_angle_gamma   77.989
_symmetry_Int_Tables_number   1
_cell_volume   274.172
_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  0.577  0.520  0.183  1.0
  Mn  Mn1  1  0.079  0.513  0.183  1.0
  Mn  Mn2  1  0.170  0.817  0.515  1.0
  Mn  Mn3  1  0.669  0.818  0.523  1.0
  Mn  Mn4  1  0.338  0.183  0.478  1.0
  Mn  Mn5  1  0.836  0.182  0.485  1.0
  Mn  Mn6  1  0.430  0.480  0.817  1.0
  Mn  Mn7  1  0.927  0.487  0.818  1.0
  Pb  Pb8  1  0.033  0.999  0.998  1.0
  O  O9  1  0.835  0.649  0.048  1.0
  O  O10  1  0.322  0.649  0.051  1.0
  O  O11  1  0.981  0.704  0.381  1.0
  O  O12  1  0.482  0.704  0.384  1.0
  O  O13  1  0.860  0.956  0.649  1.0
  O  O14  1  0.345  0.957  0.648  1.0
  O  O15  1  0.338  0.377  0.289  1.0
  O  O16  1  0.837  0.373  0.287  1.0
  O  O17  1  0.169  0.627  0.713  1.0
  O  O18  1  0.670  0.624  0.711  1.0
  O  O19  1  0.148  0.041  0.348  1.0
  O  O20  1  0.658  0.044  0.356  1.0
  O  O21  1  0.025  0.296  0.619  1.0
  O  O22  1  0.525  0.297  0.616  1.0
  O  O23  1  0.172  0.348  0.952  1.0
  O  O24  1  0.682  0.355  0.950  1.0
[/CIF]
.
The material structure described by PbMn8O16 is zeta iron carbide-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(16), one O(2), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(1), one O(15), one O(2), one O(3), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Mn site, Mn(3) is bonded to one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-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(10), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(13), one O(14), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(12), one O(13), one O(14), one O(5), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(14), one O(15), one O(16), one O(2), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(10), one O(13), one O(15), one O(16), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Pb(1) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(2), and one O(6) atom. There are sixteen 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 Mn(8) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(7), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(3), one Mn(7), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(4), one Mn(7), and one Mn(8) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), one Mn(6), and one Pb(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Mn(7) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(7), one Mn(8), and one Pb(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom. is represented by the CIF card [CIF]
data_Mn8PbO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   7.017
_cell_length_c   7.059
_cell_angle_alpha   87.937
_cell_angle_beta   78.300
_cell_angle_gamma   77.989
_symmetry_Int_Tables_number   1
_cell_volume   274.172
_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  0.577  0.520  0.183  1.0
  Mn  Mn1  1  0.079  0.513  0.183  1.0
  Mn  Mn2  1  0.170  0.817  0.515  1.0
  Mn  Mn3  1  0.669  0.818  0.523  1.0
  Mn  Mn4  1  0.338  0.183  0.478  1.0
  Mn  Mn5  1  0.836  0.182  0.485  1.0
  Mn  Mn6  1  0.430  0.480  0.817  1.0
  Mn  Mn7  1  0.927  0.487  0.818  1.0
  Pb  Pb8  1  0.033  0.999  0.998  1.0
  O  O9  1  0.835  0.649  0.048  1.0
  O  O10  1  0.322  0.649  0.051  1.0
  O  O11  1  0.981  0.704  0.381  1.0
  O  O12  1  0.482  0.704  0.384  1.0
  O  O13  1  0.860  0.956  0.649  1.0
  O  O14  1  0.345  0.957  0.648  1.0
  O  O15  1  0.338  0.377  0.289  1.0
  O  O16  1  0.837  0.373  0.287  1.0
  O  O17  1  0.169  0.627  0.713  1.0
  O  O18  1  0.670  0.624  0.711  1.0
  O  O19  1  0.148  0.041  0.348  1.0
  O  O20  1  0.658  0.044  0.356  1.0
  O  O21  1  0.025  0.296  0.619  1.0
  O  O22  1  0.525  0.297  0.616  1.0
  O  O23  1  0.172  0.348  0.952  1.0
  O  O24  1  0.682  0.355  0.950  1.0
[/CIF]
.