The material structure described by Mn3PbP3O12 crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1), one Pb(1), and one P(1) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Mn(1), one Pb(1), and one P(2) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Mn(2), one Pb(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Mn3P3PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.401
_cell_length_b   9.401
_cell_length_c   9.401
_cell_angle_alpha   137.998
_cell_angle_beta   112.393
_cell_angle_gamma   82.872
_symmetry_Int_Tables_number   1
_cell_volume   496.819
_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  0.618  0.618  0.500  1.0
  Mn  Mn1  1  0.882  0.382  0.000  1.0
  Mn  Mn2  1  0.118  0.618  0.000  1.0
  Mn  Mn3  1  0.382  0.382  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  P  P6  1  0.750  0.345  0.595  1.0
  P  P7  1  0.250  0.655  0.405  1.0
  P  P8  1  0.823  0.823  0.500  1.0
  P  P9  1  0.677  0.177  0.000  1.0
  P  P10  1  0.323  0.823  0.000  1.0
  P  P11  1  0.177  0.177  0.500  1.0
  Pb  Pb12  1  0.750  0.866  0.116  1.0
  Pb  Pb13  1  0.250  0.134  0.884  1.0
  O  O14  1  0.660  0.124  0.463  1.0
  O  O15  1  0.340  0.876  0.537  1.0
  O  O16  1  0.160  0.697  0.537  1.0
  O  O17  1  0.840  0.303  0.463  1.0
  O  O18  1  0.632  0.488  0.619  1.0
  O  O19  1  0.132  0.512  0.144  1.0
  O  O20  1  0.368  0.512  0.381  1.0
  O  O21  1  0.868  0.488  0.856  1.0
  O  O22  1  0.926  0.061  0.720  1.0
  O  O23  1  0.660  0.939  0.865  1.0
  O  O24  1  0.426  0.706  0.865  1.0
  O  O25  1  0.160  0.294  0.720  1.0
  O  O26  1  0.074  0.939  0.280  1.0
  O  O27  1  0.340  0.061  0.135  1.0
  O  O28  1  0.574  0.294  0.135  1.0
  O  O29  1  0.840  0.706  0.280  1.0
  O  O30  1  0.639  0.801  0.440  1.0
  O  O31  1  0.639  0.199  0.838  1.0
  O  O32  1  0.139  0.698  0.838  1.0
  O  O33  1  0.139  0.302  0.440  1.0
  O  O34  1  0.361  0.199  0.560  1.0
  O  O35  1  0.361  0.801  0.162  1.0
  O  O36  1  0.861  0.302  0.162  1.0
  O  O37  1  0.861  0.698  0.560  1.0
[/CIF]
.
The material structure described by Mn3PbP3O12 crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1), one Pb(1), and one P(1) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Mn(1), one Pb(1), and one P(2) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Mn(2), one Pb(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Mn3P3PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.401
_cell_length_b   9.401
_cell_length_c   9.401
_cell_angle_alpha   137.998
_cell_angle_beta   112.393
_cell_angle_gamma   82.872
_symmetry_Int_Tables_number   1
_cell_volume   496.819
_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  0.618  0.618  0.500  1.0
  Mn  Mn1  1  0.882  0.382  0.000  1.0
  Mn  Mn2  1  0.118  0.618  0.000  1.0
  Mn  Mn3  1  0.382  0.382  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  P  P6  1  0.750  0.345  0.595  1.0
  P  P7  1  0.250  0.655  0.405  1.0
  P  P8  1  0.823  0.823  0.500  1.0
  P  P9  1  0.677  0.177  0.000  1.0
  P  P10  1  0.323  0.823  0.000  1.0
  P  P11  1  0.177  0.177  0.500  1.0
  Pb  Pb12  1  0.750  0.866  0.116  1.0
  Pb  Pb13  1  0.250  0.134  0.884  1.0
  O  O14  1  0.660  0.124  0.463  1.0
  O  O15  1  0.340  0.876  0.537  1.0
  O  O16  1  0.160  0.697  0.537  1.0
  O  O17  1  0.840  0.303  0.463  1.0
  O  O18  1  0.632  0.488  0.619  1.0
  O  O19  1  0.132  0.512  0.144  1.0
  O  O20  1  0.368  0.512  0.381  1.0
  O  O21  1  0.868  0.488  0.856  1.0
  O  O22  1  0.926  0.061  0.720  1.0
  O  O23  1  0.660  0.939  0.865  1.0
  O  O24  1  0.426  0.706  0.865  1.0
  O  O25  1  0.160  0.294  0.720  1.0
  O  O26  1  0.074  0.939  0.280  1.0
  O  O27  1  0.340  0.061  0.135  1.0
  O  O28  1  0.574  0.294  0.135  1.0
  O  O29  1  0.840  0.706  0.280  1.0
  O  O30  1  0.639  0.801  0.440  1.0
  O  O31  1  0.639  0.199  0.838  1.0
  O  O32  1  0.139  0.698  0.838  1.0
  O  O33  1  0.139  0.302  0.440  1.0
  O  O34  1  0.361  0.199  0.560  1.0
  O  O35  1  0.361  0.801  0.162  1.0
  O  O36  1  0.861  0.302  0.162  1.0
  O  O37  1  0.861  0.698  0.560  1.0
[/CIF]
.