The material described by MoO2(PO3)2 crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-39°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-32°. There are eight 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(2) 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 single-bond geometry to one Mo(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.950
_cell_length_b   4.982
_cell_length_c   10.896
_cell_angle_alpha   84.961
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   700.178
_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  0.571  0.804  0.289  1.0
  Mo  Mo1  1  0.071  0.696  0.211  1.0
  Mo  Mo2  1  0.929  0.304  0.789  1.0
  Mo  Mo3  1  0.429  0.196  0.711  1.0
  P  P4  1  0.411  0.303  0.385  1.0
  P  P5  1  0.589  0.697  0.615  1.0
  P  P6  1  0.252  0.699  0.706  1.0
  P  P7  1  0.752  0.801  0.794  1.0
  P  P8  1  0.911  0.197  0.115  1.0
  P  P9  1  0.248  0.199  0.205  1.0
  P  P10  1  0.089  0.803  0.885  1.0
  P  P11  1  0.748  0.301  0.294  1.0
  O  O12  1  0.334  0.476  0.748  1.0
  O  O13  1  0.834  0.024  0.752  1.0
  O  O14  1  0.316  0.961  0.670  1.0
  O  O15  1  0.675  0.876  0.884  1.0
  O  O16  1  0.166  0.976  0.248  1.0
  O  O17  1  0.684  0.039  0.330  1.0
  O  O18  1  0.325  0.124  0.116  1.0
  O  O19  1  0.474  0.048  0.366  1.0
  O  O20  1  0.448  0.063  0.857  1.0
  O  O21  1  0.045  0.041  0.798  1.0
  O  O22  1  0.796  0.244  0.161  1.0
  O  O23  1  0.296  0.256  0.339  1.0
  O  O24  1  0.903  0.139  0.983  1.0
  O  O25  1  0.974  0.452  0.134  1.0
  O  O26  1  0.825  0.376  0.384  1.0
  O  O27  1  0.403  0.361  0.517  1.0
  O  O28  1  0.184  0.461  0.170  1.0
  O  O29  1  0.666  0.524  0.252  1.0
  O  O30  1  0.545  0.459  0.702  1.0
  O  O31  1  0.552  0.937  0.143  1.0
  O  O32  1  0.052  0.563  0.357  1.0
  O  O33  1  0.455  0.541  0.298  1.0
  O  O34  1  0.948  0.437  0.643  1.0
  O  O35  1  0.816  0.539  0.830  1.0
  O  O36  1  0.597  0.639  0.483  1.0
  O  O37  1  0.175  0.624  0.616  1.0
  O  O38  1  0.026  0.548  0.866  1.0
  O  O39  1  0.097  0.861  0.017  1.0
  O  O40  1  0.704  0.744  0.661  1.0
  O  O41  1  0.204  0.756  0.839  1.0
  O  O42  1  0.955  0.959  0.202  1.0
  O  O43  1  0.526  0.952  0.634  1.0
[/CIF]
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The material described by MoO2(PO3)2 crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-39°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-32°. There are eight 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(2) 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 single-bond geometry to one Mo(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.950
_cell_length_b   4.982
_cell_length_c   10.896
_cell_angle_alpha   84.961
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   700.178
_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  0.571  0.804  0.289  1.0
  Mo  Mo1  1  0.071  0.696  0.211  1.0
  Mo  Mo2  1  0.929  0.304  0.789  1.0
  Mo  Mo3  1  0.429  0.196  0.711  1.0
  P  P4  1  0.411  0.303  0.385  1.0
  P  P5  1  0.589  0.697  0.615  1.0
  P  P6  1  0.252  0.699  0.706  1.0
  P  P7  1  0.752  0.801  0.794  1.0
  P  P8  1  0.911  0.197  0.115  1.0
  P  P9  1  0.248  0.199  0.205  1.0
  P  P10  1  0.089  0.803  0.885  1.0
  P  P11  1  0.748  0.301  0.294  1.0
  O  O12  1  0.334  0.476  0.748  1.0
  O  O13  1  0.834  0.024  0.752  1.0
  O  O14  1  0.316  0.961  0.670  1.0
  O  O15  1  0.675  0.876  0.884  1.0
  O  O16  1  0.166  0.976  0.248  1.0
  O  O17  1  0.684  0.039  0.330  1.0
  O  O18  1  0.325  0.124  0.116  1.0
  O  O19  1  0.474  0.048  0.366  1.0
  O  O20  1  0.448  0.063  0.857  1.0
  O  O21  1  0.045  0.041  0.798  1.0
  O  O22  1  0.796  0.244  0.161  1.0
  O  O23  1  0.296  0.256  0.339  1.0
  O  O24  1  0.903  0.139  0.983  1.0
  O  O25  1  0.974  0.452  0.134  1.0
  O  O26  1  0.825  0.376  0.384  1.0
  O  O27  1  0.403  0.361  0.517  1.0
  O  O28  1  0.184  0.461  0.170  1.0
  O  O29  1  0.666  0.524  0.252  1.0
  O  O30  1  0.545  0.459  0.702  1.0
  O  O31  1  0.552  0.937  0.143  1.0
  O  O32  1  0.052  0.563  0.357  1.0
  O  O33  1  0.455  0.541  0.298  1.0
  O  O34  1  0.948  0.437  0.643  1.0
  O  O35  1  0.816  0.539  0.830  1.0
  O  O36  1  0.597  0.639  0.483  1.0
  O  O37  1  0.175  0.624  0.616  1.0
  O  O38  1  0.026  0.548  0.866  1.0
  O  O39  1  0.097  0.861  0.017  1.0
  O  O40  1  0.704  0.744  0.661  1.0
  O  O41  1  0.204  0.756  0.839  1.0
  O  O42  1  0.955  0.959  0.202  1.0
  O  O43  1  0.526  0.952  0.634  1.0
[/CIF]
.