The material structure described by Mo2P3O13 crystallizes in the monoclinic Cc space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(13), one O(4), one O(6), and one O(8) 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(12), one O(2), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the second P site, P(2) is bonded to one O(12), one O(13), one O(3), and one O(4) 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-39°. There are thirteen inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the second O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(13) is bonded in a bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the ninth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the tenth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the eleventh O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the thirteenth O site, O(10) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF file [CIF]
data_Mo2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.169
_cell_length_b   9.169
_cell_length_c   9.036
_cell_angle_alpha   69.728
_cell_angle_beta   69.728
_cell_angle_gamma   107.622
_symmetry_Int_Tables_number   1
_cell_volume   586.269
_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  0.165  0.348  0.169  1.0
  Mo  Mo1  1  0.656  0.836  0.332  1.0
  Mo  Mo2  1  0.348  0.165  0.669  1.0
  Mo  Mo3  1  0.836  0.656  0.832  1.0
  P  P4  1  0.159  0.737  0.934  1.0
  P  P5  1  0.737  0.159  0.434  1.0
  P  P6  1  0.263  0.841  0.565  1.0
  P  P7  1  0.841  0.263  0.065  1.0
  P  P8  1  0.510  0.490  0.749  1.0
  P  P9  1  0.490  0.510  0.249  1.0
  O  O10  1  0.506  0.609  0.585  1.0
  O  O11  1  0.171  0.611  0.082  1.0
  O  O12  1  0.609  0.506  0.085  1.0
  O  O13  1  0.029  0.309  0.044  1.0
  O  O14  1  0.845  0.401  0.912  1.0
  O  O15  1  0.378  0.475  0.926  1.0
  O  O16  1  0.971  0.693  0.968  1.0
  O  O17  1  0.440  0.300  0.772  1.0
  O  O18  1  0.828  0.849  0.767  1.0
  O  O19  1  0.261  0.935  0.882  1.0
  O  O20  1  0.611  0.171  0.582  1.0
  O  O21  1  0.152  0.169  0.734  1.0
  O  O22  1  0.935  0.261  0.382  1.0
  O  O23  1  0.693  0.552  0.727  1.0
  O  O24  1  0.264  0.735  0.750  1.0
  O  O25  1  0.169  0.152  0.234  1.0
  O  O26  1  0.693  0.971  0.468  1.0
  O  O27  1  0.309  0.029  0.544  1.0
  O  O28  1  0.552  0.693  0.227  1.0
  O  O29  1  0.735  0.264  0.250  1.0
  O  O30  1  0.300  0.440  0.272  1.0
  O  O31  1  0.074  0.748  0.602  1.0
  O  O32  1  0.849  0.828  0.267  1.0
  O  O33  1  0.401  0.845  0.412  1.0
  O  O34  1  0.748  0.074  0.102  1.0
  O  O35  1  0.475  0.378  0.426  1.0
[/CIF]
.
The material structure described by Mo2P3O13 crystallizes in the monoclinic Cc space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(13), one O(4), one O(6), and one O(8) 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(12), one O(2), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the second P site, P(2) is bonded to one O(12), one O(13), one O(3), and one O(4) 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-39°. There are thirteen inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the second O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(13) is bonded in a bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the ninth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the tenth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the eleventh O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the thirteenth O site, O(10) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF file [CIF]
data_Mo2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.169
_cell_length_b   9.169
_cell_length_c   9.036
_cell_angle_alpha   69.728
_cell_angle_beta   69.728
_cell_angle_gamma   107.622
_symmetry_Int_Tables_number   1
_cell_volume   586.269
_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  0.165  0.348  0.169  1.0
  Mo  Mo1  1  0.656  0.836  0.332  1.0
  Mo  Mo2  1  0.348  0.165  0.669  1.0
  Mo  Mo3  1  0.836  0.656  0.832  1.0
  P  P4  1  0.159  0.737  0.934  1.0
  P  P5  1  0.737  0.159  0.434  1.0
  P  P6  1  0.263  0.841  0.565  1.0
  P  P7  1  0.841  0.263  0.065  1.0
  P  P8  1  0.510  0.490  0.749  1.0
  P  P9  1  0.490  0.510  0.249  1.0
  O  O10  1  0.506  0.609  0.585  1.0
  O  O11  1  0.171  0.611  0.082  1.0
  O  O12  1  0.609  0.506  0.085  1.0
  O  O13  1  0.029  0.309  0.044  1.0
  O  O14  1  0.845  0.401  0.912  1.0
  O  O15  1  0.378  0.475  0.926  1.0
  O  O16  1  0.971  0.693  0.968  1.0
  O  O17  1  0.440  0.300  0.772  1.0
  O  O18  1  0.828  0.849  0.767  1.0
  O  O19  1  0.261  0.935  0.882  1.0
  O  O20  1  0.611  0.171  0.582  1.0
  O  O21  1  0.152  0.169  0.734  1.0
  O  O22  1  0.935  0.261  0.382  1.0
  O  O23  1  0.693  0.552  0.727  1.0
  O  O24  1  0.264  0.735  0.750  1.0
  O  O25  1  0.169  0.152  0.234  1.0
  O  O26  1  0.693  0.971  0.468  1.0
  O  O27  1  0.309  0.029  0.544  1.0
  O  O28  1  0.552  0.693  0.227  1.0
  O  O29  1  0.735  0.264  0.250  1.0
  O  O30  1  0.300  0.440  0.272  1.0
  O  O31  1  0.074  0.748  0.602  1.0
  O  O32  1  0.849  0.828  0.267  1.0
  O  O33  1  0.401  0.845  0.412  1.0
  O  O34  1  0.748  0.074  0.102  1.0
  O  O35  1  0.475  0.378  0.426  1.0
[/CIF]
.