The compound described by MnPbO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form a mixture of corner and face-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Pb(1), and one Pb(2) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), and two equivalent Pb(2) atoms. In the third O site, O(1) is bonded in an L-shaped geometry to two equivalent Mn(2), two equivalent Pb(1), and two equivalent Pb(2) atoms. In the fourth O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Mn(2), one Pb(2), and two equivalent Pb(1) atoms. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), one Pb(1), and two equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.594
_cell_length_c   13.856
_cell_angle_alpha   88.947
_cell_angle_beta   87.898
_cell_angle_gamma   59.919
_symmetry_Int_Tables_number   1
_cell_volume   375.871
_cell_formula_units_Z   6
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.680  0.674  0.845  1.0
  Mn  Mn3  1  0.646  0.674  0.655  1.0
  Mn  Mn4  1  0.320  0.326  0.155  1.0
  Mn  Mn5  1  0.354  0.326  0.345  1.0
  Pb  Pb6  1  0.011  0.979  0.250  1.0
  Pb  Pb7  1  0.989  0.021  0.750  1.0
  Pb  Pb8  1  0.670  0.660  0.089  1.0
  Pb  Pb9  1  0.671  0.660  0.411  1.0
  Pb  Pb10  1  0.330  0.340  0.911  1.0
  Pb  Pb11  1  0.329  0.340  0.589  1.0
  O  O12  1  0.487  0.025  0.250  1.0
  O  O13  1  0.513  0.975  0.750  1.0
  O  O14  1  0.040  0.475  0.265  1.0
  O  O15  1  0.485  0.475  0.235  1.0
  O  O16  1  0.960  0.525  0.735  1.0
  O  O17  1  0.515  0.525  0.765  1.0
  O  O18  1  0.106  0.664  0.080  1.0
  O  O19  1  0.230  0.664  0.420  1.0
  O  O20  1  0.894  0.336  0.920  1.0
  O  O21  1  0.770  0.336  0.580  1.0
  O  O22  1  0.106  0.169  0.100  1.0
  O  O23  1  0.725  0.169  0.400  1.0
  O  O24  1  0.894  0.831  0.900  1.0
  O  O25  1  0.275  0.831  0.600  1.0
  O  O26  1  0.614  0.165  0.058  1.0
  O  O27  1  0.221  0.165  0.442  1.0
  O  O28  1  0.386  0.835  0.942  1.0
  O  O29  1  0.779  0.835  0.558  1.0
[/CIF]
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The compound described by MnPbO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form a mixture of corner and face-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Pb(1), and one Pb(2) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), and two equivalent Pb(2) atoms. In the third O site, O(1) is bonded in an L-shaped geometry to two equivalent Mn(2), two equivalent Pb(1), and two equivalent Pb(2) atoms. In the fourth O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Mn(2), one Pb(2), and two equivalent Pb(1) atoms. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), one Pb(1), and two equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.594
_cell_length_c   13.856
_cell_angle_alpha   88.947
_cell_angle_beta   87.898
_cell_angle_gamma   59.919
_symmetry_Int_Tables_number   1
_cell_volume   375.871
_cell_formula_units_Z   6
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.680  0.674  0.845  1.0
  Mn  Mn3  1  0.646  0.674  0.655  1.0
  Mn  Mn4  1  0.320  0.326  0.155  1.0
  Mn  Mn5  1  0.354  0.326  0.345  1.0
  Pb  Pb6  1  0.011  0.979  0.250  1.0
  Pb  Pb7  1  0.989  0.021  0.750  1.0
  Pb  Pb8  1  0.670  0.660  0.089  1.0
  Pb  Pb9  1  0.671  0.660  0.411  1.0
  Pb  Pb10  1  0.330  0.340  0.911  1.0
  Pb  Pb11  1  0.329  0.340  0.589  1.0
  O  O12  1  0.487  0.025  0.250  1.0
  O  O13  1  0.513  0.975  0.750  1.0
  O  O14  1  0.040  0.475  0.265  1.0
  O  O15  1  0.485  0.475  0.235  1.0
  O  O16  1  0.960  0.525  0.735  1.0
  O  O17  1  0.515  0.525  0.765  1.0
  O  O18  1  0.106  0.664  0.080  1.0
  O  O19  1  0.230  0.664  0.420  1.0
  O  O20  1  0.894  0.336  0.920  1.0
  O  O21  1  0.770  0.336  0.580  1.0
  O  O22  1  0.106  0.169  0.100  1.0
  O  O23  1  0.725  0.169  0.400  1.0
  O  O24  1  0.894  0.831  0.900  1.0
  O  O25  1  0.275  0.831  0.600  1.0
  O  O26  1  0.614  0.165  0.058  1.0
  O  O27  1  0.221  0.165  0.442  1.0
  O  O28  1  0.386  0.835  0.942  1.0
  O  O29  1  0.779  0.835  0.558  1.0
[/CIF]
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