The material structure described by Mo(PO3)4 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. 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(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(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 distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_Mo(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.616
_cell_length_b   7.616
_cell_length_c   10.088
_cell_angle_alpha   67.749
_cell_angle_beta   67.749
_cell_angle_gamma   66.896
_symmetry_Int_Tables_number   1
_cell_volume   479.594
_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  0.500  0.000  0.000  1.0
  Mo  Mo1  1  0.000  0.500  0.500  1.0
  P  P2  1  0.748  0.263  0.468  1.0
  P  P3  1  0.737  0.252  0.032  1.0
  P  P4  1  0.691  0.657  0.815  1.0
  P  P5  1  0.263  0.748  0.968  1.0
  P  P6  1  0.252  0.737  0.532  1.0
  P  P7  1  0.343  0.309  0.685  1.0
  P  P8  1  0.657  0.691  0.315  1.0
  P  P9  1  0.309  0.343  0.185  1.0
  O  O10  1  0.658  0.469  0.349  1.0
  O  O11  1  0.203  0.350  0.344  1.0
  O  O12  1  0.797  0.650  0.656  1.0
  O  O13  1  0.819  0.331  0.561  1.0
  O  O14  1  0.331  0.819  0.061  1.0
  O  O15  1  0.469  0.658  0.849  1.0
  O  O16  1  0.306  0.170  0.149  1.0
  O  O17  1  0.211  0.545  0.078  1.0
  O  O18  1  0.545  0.211  0.578  1.0
  O  O19  1  0.105  0.876  0.897  1.0
  O  O20  1  0.342  0.531  0.651  1.0
  O  O21  1  0.350  0.203  0.844  1.0
  O  O22  1  0.830  0.694  0.351  1.0
  O  O23  1  0.124  0.895  0.603  1.0
  O  O24  1  0.876  0.105  0.397  1.0
  O  O25  1  0.669  0.181  0.939  1.0
  O  O26  1  0.650  0.797  0.156  1.0
  O  O27  1  0.181  0.669  0.439  1.0
  O  O28  1  0.895  0.124  0.103  1.0
  O  O29  1  0.455  0.789  0.422  1.0
  O  O30  1  0.789  0.455  0.922  1.0
  O  O31  1  0.694  0.830  0.851  1.0
  O  O32  1  0.531  0.342  0.151  1.0
  O  O33  1  0.170  0.306  0.649  1.0
[/CIF]
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The material structure described by Mo(PO3)4 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. 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(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(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 distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_Mo(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.616
_cell_length_b   7.616
_cell_length_c   10.088
_cell_angle_alpha   67.749
_cell_angle_beta   67.749
_cell_angle_gamma   66.896
_symmetry_Int_Tables_number   1
_cell_volume   479.594
_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  0.500  0.000  0.000  1.0
  Mo  Mo1  1  0.000  0.500  0.500  1.0
  P  P2  1  0.748  0.263  0.468  1.0
  P  P3  1  0.737  0.252  0.032  1.0
  P  P4  1  0.691  0.657  0.815  1.0
  P  P5  1  0.263  0.748  0.968  1.0
  P  P6  1  0.252  0.737  0.532  1.0
  P  P7  1  0.343  0.309  0.685  1.0
  P  P8  1  0.657  0.691  0.315  1.0
  P  P9  1  0.309  0.343  0.185  1.0
  O  O10  1  0.658  0.469  0.349  1.0
  O  O11  1  0.203  0.350  0.344  1.0
  O  O12  1  0.797  0.650  0.656  1.0
  O  O13  1  0.819  0.331  0.561  1.0
  O  O14  1  0.331  0.819  0.061  1.0
  O  O15  1  0.469  0.658  0.849  1.0
  O  O16  1  0.306  0.170  0.149  1.0
  O  O17  1  0.211  0.545  0.078  1.0
  O  O18  1  0.545  0.211  0.578  1.0
  O  O19  1  0.105  0.876  0.897  1.0
  O  O20  1  0.342  0.531  0.651  1.0
  O  O21  1  0.350  0.203  0.844  1.0
  O  O22  1  0.830  0.694  0.351  1.0
  O  O23  1  0.124  0.895  0.603  1.0
  O  O24  1  0.876  0.105  0.397  1.0
  O  O25  1  0.669  0.181  0.939  1.0
  O  O26  1  0.650  0.797  0.156  1.0
  O  O27  1  0.181  0.669  0.439  1.0
  O  O28  1  0.895  0.124  0.103  1.0
  O  O29  1  0.455  0.789  0.422  1.0
  O  O30  1  0.789  0.455  0.922  1.0
  O  O31  1  0.694  0.830  0.851  1.0
  O  O32  1  0.531  0.342  0.151  1.0
  O  O33  1  0.170  0.306  0.649  1.0
[/CIF]
.