The material described by (MoO2)2P2O7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one O(5), one O(9), and two equivalent O(2) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. In the second Mo site, Mo(2) is bonded to one O(3), one O(6), one O(7), one O(9), and two equivalent O(8) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. In the second P site, P(2) is bonded to one O(5), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra and corners with three equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-47°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo2P2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.345
_cell_length_b   7.470
_cell_length_c   9.019
_cell_angle_alpha   74.963
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.813
_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
  Mo  Mo0  1  0.750  0.823  0.852  1.0
  Mo  Mo1  1  0.750  0.605  0.288  1.0
  Mo  Mo2  1  0.250  0.395  0.712  1.0
  Mo  Mo3  1  0.250  0.177  0.148  1.0
  P  P4  1  0.250  0.931  0.883  1.0
  P  P5  1  0.750  0.488  0.669  1.0
  P  P6  1  0.250  0.512  0.331  1.0
  P  P7  1  0.750  0.069  0.117  1.0
  O  O8  1  0.750  0.966  0.679  1.0
  O  O9  1  0.055  0.807  0.885  1.0
  O  O10  1  0.445  0.807  0.885  1.0
  O  O11  1  0.750  0.903  0.251  1.0
  O  O12  1  0.250  0.981  0.039  1.0
  O  O13  1  0.750  0.594  0.798  1.0
  O  O14  1  0.250  0.627  0.652  1.0
  O  O15  1  0.750  0.629  0.516  1.0
  O  O16  1  0.058  0.638  0.303  1.0
  O  O17  1  0.442  0.638  0.303  1.0
  O  O18  1  0.750  0.644  0.089  1.0
  O  O19  1  0.250  0.356  0.911  1.0
  O  O20  1  0.558  0.362  0.697  1.0
  O  O21  1  0.942  0.362  0.697  1.0
  O  O22  1  0.250  0.371  0.484  1.0
  O  O23  1  0.750  0.373  0.348  1.0
  O  O24  1  0.250  0.406  0.202  1.0
  O  O25  1  0.750  0.019  0.961  1.0
  O  O26  1  0.250  0.097  0.749  1.0
  O  O27  1  0.555  0.193  0.115  1.0
  O  O28  1  0.945  0.193  0.115  1.0
  O  O29  1  0.250  0.034  0.321  1.0
[/CIF]
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The material described by (MoO2)2P2O7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one O(5), one O(9), and two equivalent O(2) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. In the second Mo site, Mo(2) is bonded to one O(3), one O(6), one O(7), one O(9), and two equivalent O(8) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. In the second P site, P(2) is bonded to one O(5), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra and corners with three equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-47°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo2P2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.345
_cell_length_b   7.470
_cell_length_c   9.019
_cell_angle_alpha   74.963
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.813
_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
  Mo  Mo0  1  0.750  0.823  0.852  1.0
  Mo  Mo1  1  0.750  0.605  0.288  1.0
  Mo  Mo2  1  0.250  0.395  0.712  1.0
  Mo  Mo3  1  0.250  0.177  0.148  1.0
  P  P4  1  0.250  0.931  0.883  1.0
  P  P5  1  0.750  0.488  0.669  1.0
  P  P6  1  0.250  0.512  0.331  1.0
  P  P7  1  0.750  0.069  0.117  1.0
  O  O8  1  0.750  0.966  0.679  1.0
  O  O9  1  0.055  0.807  0.885  1.0
  O  O10  1  0.445  0.807  0.885  1.0
  O  O11  1  0.750  0.903  0.251  1.0
  O  O12  1  0.250  0.981  0.039  1.0
  O  O13  1  0.750  0.594  0.798  1.0
  O  O14  1  0.250  0.627  0.652  1.0
  O  O15  1  0.750  0.629  0.516  1.0
  O  O16  1  0.058  0.638  0.303  1.0
  O  O17  1  0.442  0.638  0.303  1.0
  O  O18  1  0.750  0.644  0.089  1.0
  O  O19  1  0.250  0.356  0.911  1.0
  O  O20  1  0.558  0.362  0.697  1.0
  O  O21  1  0.942  0.362  0.697  1.0
  O  O22  1  0.250  0.371  0.484  1.0
  O  O23  1  0.750  0.373  0.348  1.0
  O  O24  1  0.250  0.406  0.202  1.0
  O  O25  1  0.750  0.019  0.961  1.0
  O  O26  1  0.250  0.097  0.749  1.0
  O  O27  1  0.555  0.193  0.115  1.0
  O  O28  1  0.945  0.193  0.115  1.0
  O  O29  1  0.250  0.034  0.321  1.0
[/CIF]
.