The material described by Mo2P3O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom 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 26-38°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(13), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-47°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-48°. There are thirteen inequivalent O sites. In the first O site, O(13) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the second O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(3) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a linear geometry to one Mo(1) and one P(3) atom. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to one Mo(1) and one P(2) atom. In the tenth O site, O(9) is bonded in a single-bond geometry to one Mo(2) atom. In the eleventh O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the twelfth O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the thirteenth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Mo2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.325
_cell_length_b   7.499
_cell_length_c   11.372
_cell_angle_alpha   77.016
_cell_angle_beta   86.666
_cell_angle_gamma   78.563
_symmetry_Int_Tables_number   1
_cell_volume   515.139
_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  0.198  0.209  0.093  1.0
  Mo  Mo1  1  0.752  0.803  0.405  1.0
  Mo  Mo2  1  0.802  0.791  0.907  1.0
  Mo  Mo3  1  0.248  0.197  0.595  1.0
  P  P4  1  0.274  0.941  0.884  1.0
  P  P5  1  0.742  0.209  0.670  1.0
  P  P6  1  0.258  0.791  0.330  1.0
  P  P7  1  0.726  0.059  0.116  1.0
  P  P8  1  0.886  0.540  0.682  1.0
  P  P9  1  0.114  0.460  0.318  1.0
  O  O10  1  0.818  0.618  0.028  1.0
  O  O11  1  0.492  0.812  0.879  1.0
  O  O12  1  0.111  0.456  0.650  1.0
  O  O13  1  0.236  0.104  0.776  1.0
  O  O14  1  0.897  0.181  0.106  1.0
  O  O15  1  0.870  0.644  0.782  1.0
  O  O16  1  0.508  0.188  0.121  1.0
  O  O17  1  0.263  0.015  0.999  1.0
  O  O18  1  0.246  0.966  0.236  1.0
  O  O19  1  0.130  0.356  0.218  1.0
  O  O20  1  0.322  0.982  0.574  1.0
  O  O21  1  0.760  0.664  0.573  1.0
  O  O22  1  0.754  0.034  0.764  1.0
  O  O23  1  0.931  0.201  0.580  1.0
  O  O24  1  0.737  0.985  0.001  1.0
  O  O25  1  0.182  0.382  0.972  1.0
  O  O26  1  0.103  0.819  0.894  1.0
  O  O27  1  0.240  0.336  0.427  1.0
  O  O28  1  0.069  0.799  0.420  1.0
  O  O29  1  0.529  0.267  0.604  1.0
  O  O30  1  0.471  0.733  0.396  1.0
  O  O31  1  0.889  0.544  0.350  1.0
  O  O32  1  0.678  0.018  0.426  1.0
  O  O33  1  0.756  0.376  0.734  1.0
  O  O34  1  0.244  0.624  0.266  1.0
  O  O35  1  0.764  0.896  0.224  1.0
[/CIF]
.
The material described by Mo2P3O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom 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 26-38°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(13), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-47°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-48°. There are thirteen inequivalent O sites. In the first O site, O(13) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the second O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(3) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a linear geometry to one Mo(1) and one P(3) atom. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to one Mo(1) and one P(2) atom. In the tenth O site, O(9) is bonded in a single-bond geometry to one Mo(2) atom. In the eleventh O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the twelfth O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the thirteenth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Mo2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.325
_cell_length_b   7.499
_cell_length_c   11.372
_cell_angle_alpha   77.016
_cell_angle_beta   86.666
_cell_angle_gamma   78.563
_symmetry_Int_Tables_number   1
_cell_volume   515.139
_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  0.198  0.209  0.093  1.0
  Mo  Mo1  1  0.752  0.803  0.405  1.0
  Mo  Mo2  1  0.802  0.791  0.907  1.0
  Mo  Mo3  1  0.248  0.197  0.595  1.0
  P  P4  1  0.274  0.941  0.884  1.0
  P  P5  1  0.742  0.209  0.670  1.0
  P  P6  1  0.258  0.791  0.330  1.0
  P  P7  1  0.726  0.059  0.116  1.0
  P  P8  1  0.886  0.540  0.682  1.0
  P  P9  1  0.114  0.460  0.318  1.0
  O  O10  1  0.818  0.618  0.028  1.0
  O  O11  1  0.492  0.812  0.879  1.0
  O  O12  1  0.111  0.456  0.650  1.0
  O  O13  1  0.236  0.104  0.776  1.0
  O  O14  1  0.897  0.181  0.106  1.0
  O  O15  1  0.870  0.644  0.782  1.0
  O  O16  1  0.508  0.188  0.121  1.0
  O  O17  1  0.263  0.015  0.999  1.0
  O  O18  1  0.246  0.966  0.236  1.0
  O  O19  1  0.130  0.356  0.218  1.0
  O  O20  1  0.322  0.982  0.574  1.0
  O  O21  1  0.760  0.664  0.573  1.0
  O  O22  1  0.754  0.034  0.764  1.0
  O  O23  1  0.931  0.201  0.580  1.0
  O  O24  1  0.737  0.985  0.001  1.0
  O  O25  1  0.182  0.382  0.972  1.0
  O  O26  1  0.103  0.819  0.894  1.0
  O  O27  1  0.240  0.336  0.427  1.0
  O  O28  1  0.069  0.799  0.420  1.0
  O  O29  1  0.529  0.267  0.604  1.0
  O  O30  1  0.471  0.733  0.396  1.0
  O  O31  1  0.889  0.544  0.350  1.0
  O  O32  1  0.678  0.018  0.426  1.0
  O  O33  1  0.756  0.376  0.734  1.0
  O  O34  1  0.244  0.624  0.266  1.0
  O  O35  1  0.764  0.896  0.224  1.0
[/CIF]
.