The crystal structure described by MoP2O7 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) 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 37-49°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_MoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.517
_cell_length_b   6.517
_cell_length_c   13.540
_cell_angle_alpha   73.845
_cell_angle_beta   73.845
_cell_angle_gamma   79.772
_symmetry_Int_Tables_number   1
_cell_volume   527.400
_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  0.407  0.879  0.356  1.0
  Mo  Mo1  1  0.879  0.407  0.856  1.0
  Mo  Mo2  1  0.121  0.593  0.144  1.0
  Mo  Mo3  1  0.593  0.121  0.644  1.0
  P  P4  1  0.912  0.753  0.366  1.0
  P  P5  1  0.088  0.247  0.634  1.0
  P  P6  1  0.753  0.912  0.866  1.0
  P  P7  1  0.665  0.590  0.070  1.0
  P  P8  1  0.590  0.665  0.570  1.0
  P  P9  1  0.335  0.410  0.930  1.0
  P  P10  1  0.247  0.088  0.134  1.0
  P  P11  1  0.410  0.335  0.430  1.0
  O  O12  1  0.810  0.646  0.128  1.0
  O  O13  1  0.354  0.190  0.372  1.0
  O  O14  1  0.446  0.537  0.142  1.0
  O  O15  1  0.415  0.983  0.199  1.0
  O  O16  1  0.646  0.810  0.628  1.0
  O  O17  1  0.554  0.463  0.858  1.0
  O  O18  1  0.585  0.017  0.801  1.0
  O  O19  1  0.390  0.199  0.019  1.0
  O  O20  1  0.077  0.870  0.383  1.0
  O  O21  1  0.537  0.446  0.642  1.0
  O  O22  1  0.130  0.923  0.117  1.0
  O  O23  1  0.221  0.589  0.987  1.0
  O  O24  1  0.017  0.585  0.301  1.0
  O  O25  1  0.411  0.779  0.513  1.0
  O  O26  1  0.094  0.267  0.176  1.0
  O  O27  1  0.190  0.354  0.872  1.0
  O  O28  1  0.801  0.610  0.481  1.0
  O  O29  1  0.923  0.130  0.617  1.0
  O  O30  1  0.733  0.906  0.324  1.0
  O  O31  1  0.199  0.390  0.519  1.0
  O  O32  1  0.610  0.801  0.981  1.0
  O  O33  1  0.906  0.733  0.824  1.0
  O  O34  1  0.589  0.221  0.487  1.0
  O  O35  1  0.983  0.415  0.699  1.0
  O  O36  1  0.779  0.411  0.013  1.0
  O  O37  1  0.870  0.077  0.883  1.0
  O  O38  1  0.463  0.554  0.358  1.0
  O  O39  1  0.267  0.094  0.676  1.0
[/CIF]
.
The crystal structure described by MoP2O7 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) 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 37-49°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_MoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.517
_cell_length_b   6.517
_cell_length_c   13.540
_cell_angle_alpha   73.845
_cell_angle_beta   73.845
_cell_angle_gamma   79.772
_symmetry_Int_Tables_number   1
_cell_volume   527.400
_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  0.407  0.879  0.356  1.0
  Mo  Mo1  1  0.879  0.407  0.856  1.0
  Mo  Mo2  1  0.121  0.593  0.144  1.0
  Mo  Mo3  1  0.593  0.121  0.644  1.0
  P  P4  1  0.912  0.753  0.366  1.0
  P  P5  1  0.088  0.247  0.634  1.0
  P  P6  1  0.753  0.912  0.866  1.0
  P  P7  1  0.665  0.590  0.070  1.0
  P  P8  1  0.590  0.665  0.570  1.0
  P  P9  1  0.335  0.410  0.930  1.0
  P  P10  1  0.247  0.088  0.134  1.0
  P  P11  1  0.410  0.335  0.430  1.0
  O  O12  1  0.810  0.646  0.128  1.0
  O  O13  1  0.354  0.190  0.372  1.0
  O  O14  1  0.446  0.537  0.142  1.0
  O  O15  1  0.415  0.983  0.199  1.0
  O  O16  1  0.646  0.810  0.628  1.0
  O  O17  1  0.554  0.463  0.858  1.0
  O  O18  1  0.585  0.017  0.801  1.0
  O  O19  1  0.390  0.199  0.019  1.0
  O  O20  1  0.077  0.870  0.383  1.0
  O  O21  1  0.537  0.446  0.642  1.0
  O  O22  1  0.130  0.923  0.117  1.0
  O  O23  1  0.221  0.589  0.987  1.0
  O  O24  1  0.017  0.585  0.301  1.0
  O  O25  1  0.411  0.779  0.513  1.0
  O  O26  1  0.094  0.267  0.176  1.0
  O  O27  1  0.190  0.354  0.872  1.0
  O  O28  1  0.801  0.610  0.481  1.0
  O  O29  1  0.923  0.130  0.617  1.0
  O  O30  1  0.733  0.906  0.324  1.0
  O  O31  1  0.199  0.390  0.519  1.0
  O  O32  1  0.610  0.801  0.981  1.0
  O  O33  1  0.906  0.733  0.824  1.0
  O  O34  1  0.589  0.221  0.487  1.0
  O  O35  1  0.983  0.415  0.699  1.0
  O  O36  1  0.779  0.411  0.013  1.0
  O  O37  1  0.870  0.077  0.883  1.0
  O  O38  1  0.463  0.554  0.358  1.0
  O  O39  1  0.267  0.094  0.676  1.0
[/CIF]
.