The crystal structure described by Pr3Mn4PbO12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-27°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-27°. Pb(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Pr(1), one Pr(2), one Mn(1), one Mn(2), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Mn(1), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3Mn4PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.896
_cell_length_b   5.563
_cell_length_c   5.604
_cell_angle_alpha   89.140
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.153
_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
  Pr  Pr0  1  0.000  0.990  0.040  1.0
  Pr  Pr1  1  0.500  0.489  0.456  1.0
  Pr  Pr2  1  0.500  0.004  0.964  1.0
  Mn  Mn3  1  0.251  0.999  0.502  1.0
  Mn  Mn4  1  0.751  0.500  0.996  1.0
  Mn  Mn5  1  0.749  0.999  0.502  1.0
  Mn  Mn6  1  0.249  0.500  0.996  1.0
  Pb  Pb7  1  0.000  0.505  0.512  1.0
  O  O8  1  0.295  0.220  0.218  1.0
  O  O9  1  0.701  0.275  0.717  1.0
  O  O10  1  0.782  0.798  0.798  1.0
  O  O11  1  0.222  0.728  0.279  1.0
  O  O12  1  0.218  0.798  0.798  1.0
  O  O13  1  0.778  0.728  0.279  1.0
  O  O14  1  0.705  0.220  0.218  1.0
  O  O15  1  0.299  0.275  0.717  1.0
  O  O16  1  0.000  0.424  0.005  1.0
  O  O17  1  0.000  0.058  0.476  1.0
  O  O18  1  0.500  0.571  0.011  1.0
  O  O19  1  0.500  0.919  0.517  1.0
[/CIF]
.
The crystal structure described by Pr3Mn4PbO12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-27°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-27°. Pb(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Pr(1), one Pr(2), one Mn(1), one Mn(2), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Mn(1), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3Mn4PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.896
_cell_length_b   5.563
_cell_length_c   5.604
_cell_angle_alpha   89.140
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.153
_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
  Pr  Pr0  1  0.000  0.990  0.040  1.0
  Pr  Pr1  1  0.500  0.489  0.456  1.0
  Pr  Pr2  1  0.500  0.004  0.964  1.0
  Mn  Mn3  1  0.251  0.999  0.502  1.0
  Mn  Mn4  1  0.751  0.500  0.996  1.0
  Mn  Mn5  1  0.749  0.999  0.502  1.0
  Mn  Mn6  1  0.249  0.500  0.996  1.0
  Pb  Pb7  1  0.000  0.505  0.512  1.0
  O  O8  1  0.295  0.220  0.218  1.0
  O  O9  1  0.701  0.275  0.717  1.0
  O  O10  1  0.782  0.798  0.798  1.0
  O  O11  1  0.222  0.728  0.279  1.0
  O  O12  1  0.218  0.798  0.798  1.0
  O  O13  1  0.778  0.728  0.279  1.0
  O  O14  1  0.705  0.220  0.218  1.0
  O  O15  1  0.299  0.275  0.717  1.0
  O  O16  1  0.000  0.424  0.005  1.0
  O  O17  1  0.000  0.058  0.476  1.0
  O  O18  1  0.500  0.571  0.011  1.0
  O  O19  1  0.500  0.919  0.517  1.0
[/CIF]
.