The material described by MoPbP2O8 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 9°. Pb(1) is bonded in a 6-coordinate geometry to one O(6), one O(8), two equivalent O(4), and two equivalent O(9) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-42°. In the second P site, P(2) is bonded to one O(4), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Pb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mo(1), one Pb(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. is represented by the CIF card [CIF]
data_MoP2PbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.232
_cell_length_b   10.232
_cell_length_c   6.668
_cell_angle_alpha   81.703
_cell_angle_beta   81.703
_cell_angle_gamma   90.424
_symmetry_Int_Tables_number   1
_cell_volume   683.339
_cell_formula_units_Z   4
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
  Mo  Mo0  1  0.275  0.992  0.687  1.0
  Mo  Mo1  1  0.992  0.275  0.187  1.0
  Mo  Mo2  1  0.725  0.008  0.313  1.0
  Mo  Mo3  1  0.008  0.725  0.813  1.0
  P  P4  1  0.984  0.792  0.303  1.0
  P  P5  1  0.494  0.763  0.536  1.0
  P  P6  1  0.506  0.237  0.464  1.0
  P  P7  1  0.208  0.016  0.197  1.0
  P  P8  1  0.237  0.506  0.964  1.0
  P  P9  1  0.763  0.494  0.036  1.0
  P  P10  1  0.016  0.208  0.697  1.0
  P  P11  1  0.792  0.984  0.803  1.0
  Pb  Pb12  1  0.491  0.262  0.958  1.0
  Pb  Pb13  1  0.738  0.509  0.542  1.0
  Pb  Pb14  1  0.262  0.491  0.458  1.0
  Pb  Pb15  1  0.509  0.738  0.042  1.0
  O  O16  1  0.155  0.157  0.670  1.0
  O  O17  1  0.868  0.132  0.250  1.0
  O  O18  1  0.845  0.843  0.330  1.0
  O  O19  1  0.157  0.155  0.170  1.0
  O  O20  1  0.292  0.983  0.002  1.0
  O  O21  1  0.583  0.674  0.663  1.0
  O  O22  1  0.417  0.326  0.337  1.0
  O  O23  1  0.674  0.583  0.163  1.0
  O  O24  1  0.011  0.711  0.127  1.0
  O  O25  1  0.326  0.417  0.837  1.0
  O  O26  1  0.289  0.989  0.373  1.0
  O  O27  1  0.133  0.427  0.134  1.0
  O  O28  1  0.078  0.922  0.250  1.0
  O  O29  1  0.132  0.868  0.750  1.0
  O  O30  1  0.163  0.592  0.805  1.0
  O  O31  1  0.589  0.318  0.582  1.0
  O  O32  1  0.867  0.573  0.866  1.0
  O  O33  1  0.318  0.589  0.082  1.0
  O  O34  1  0.708  0.017  0.998  1.0
  O  O35  1  0.411  0.682  0.418  1.0
  O  O36  1  0.017  0.708  0.498  1.0
  O  O37  1  0.573  0.867  0.366  1.0
  O  O38  1  0.408  0.837  0.695  1.0
  O  O39  1  0.843  0.845  0.830  1.0
  O  O40  1  0.837  0.408  0.195  1.0
  O  O41  1  0.592  0.163  0.305  1.0
  O  O42  1  0.922  0.078  0.750  1.0
  O  O43  1  0.989  0.289  0.873  1.0
  O  O44  1  0.427  0.133  0.634  1.0
  O  O45  1  0.983  0.292  0.502  1.0
  O  O46  1  0.682  0.411  0.918  1.0
  O  O47  1  0.711  0.011  0.627  1.0
[/CIF]
.
The material described by MoPbP2O8 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 9°. Pb(1) is bonded in a 6-coordinate geometry to one O(6), one O(8), two equivalent O(4), and two equivalent O(9) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-42°. In the second P site, P(2) is bonded to one O(4), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Pb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mo(1), one Pb(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. is represented by the CIF card [CIF]
data_MoP2PbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.232
_cell_length_b   10.232
_cell_length_c   6.668
_cell_angle_alpha   81.703
_cell_angle_beta   81.703
_cell_angle_gamma   90.424
_symmetry_Int_Tables_number   1
_cell_volume   683.339
_cell_formula_units_Z   4
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
  Mo  Mo0  1  0.275  0.992  0.687  1.0
  Mo  Mo1  1  0.992  0.275  0.187  1.0
  Mo  Mo2  1  0.725  0.008  0.313  1.0
  Mo  Mo3  1  0.008  0.725  0.813  1.0
  P  P4  1  0.984  0.792  0.303  1.0
  P  P5  1  0.494  0.763  0.536  1.0
  P  P6  1  0.506  0.237  0.464  1.0
  P  P7  1  0.208  0.016  0.197  1.0
  P  P8  1  0.237  0.506  0.964  1.0
  P  P9  1  0.763  0.494  0.036  1.0
  P  P10  1  0.016  0.208  0.697  1.0
  P  P11  1  0.792  0.984  0.803  1.0
  Pb  Pb12  1  0.491  0.262  0.958  1.0
  Pb  Pb13  1  0.738  0.509  0.542  1.0
  Pb  Pb14  1  0.262  0.491  0.458  1.0
  Pb  Pb15  1  0.509  0.738  0.042  1.0
  O  O16  1  0.155  0.157  0.670  1.0
  O  O17  1  0.868  0.132  0.250  1.0
  O  O18  1  0.845  0.843  0.330  1.0
  O  O19  1  0.157  0.155  0.170  1.0
  O  O20  1  0.292  0.983  0.002  1.0
  O  O21  1  0.583  0.674  0.663  1.0
  O  O22  1  0.417  0.326  0.337  1.0
  O  O23  1  0.674  0.583  0.163  1.0
  O  O24  1  0.011  0.711  0.127  1.0
  O  O25  1  0.326  0.417  0.837  1.0
  O  O26  1  0.289  0.989  0.373  1.0
  O  O27  1  0.133  0.427  0.134  1.0
  O  O28  1  0.078  0.922  0.250  1.0
  O  O29  1  0.132  0.868  0.750  1.0
  O  O30  1  0.163  0.592  0.805  1.0
  O  O31  1  0.589  0.318  0.582  1.0
  O  O32  1  0.867  0.573  0.866  1.0
  O  O33  1  0.318  0.589  0.082  1.0
  O  O34  1  0.708  0.017  0.998  1.0
  O  O35  1  0.411  0.682  0.418  1.0
  O  O36  1  0.017  0.708  0.498  1.0
  O  O37  1  0.573  0.867  0.366  1.0
  O  O38  1  0.408  0.837  0.695  1.0
  O  O39  1  0.843  0.845  0.830  1.0
  O  O40  1  0.837  0.408  0.195  1.0
  O  O41  1  0.592  0.163  0.305  1.0
  O  O42  1  0.922  0.078  0.750  1.0
  O  O43  1  0.989  0.289  0.873  1.0
  O  O44  1  0.427  0.133  0.634  1.0
  O  O45  1  0.983  0.292  0.502  1.0
  O  O46  1  0.682  0.411  0.918  1.0
  O  O47  1  0.711  0.011  0.627  1.0
[/CIF]
.