The compound described by BaMo2(P2O7)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) 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(2), one O(3), and one O(4) 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 25-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) 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 40-51°. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(1) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one P(2) atom. In the sixth O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the seventh O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. is represented by the CIF file [CIF]
data_BaMo2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.753
_cell_length_b   7.753
_cell_length_c   10.087
_cell_angle_alpha   80.120
_cell_angle_beta   80.120
_cell_angle_gamma   89.322
_symmetry_Int_Tables_number   1
_cell_volume   588.432
_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
  Ba  Ba0  1  0.000  0.500  0.000  1.0
  Ba  Ba1  1  0.500  0.000  0.500  1.0
  Mo  Mo2  1  0.000  1.000  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  Mo  Mo4  1  0.455  0.545  0.250  1.0
  Mo  Mo5  1  0.545  0.455  0.750  1.0
  P  P6  1  0.821  0.732  0.300  1.0
  P  P7  1  0.268  0.179  0.200  1.0
  P  P8  1  0.179  0.268  0.700  1.0
  P  P9  1  0.732  0.821  0.800  1.0
  P  P10  1  0.748  0.367  0.444  1.0
  P  P11  1  0.633  0.252  0.056  1.0
  P  P12  1  0.252  0.633  0.556  1.0
  P  P13  1  0.367  0.748  0.944  1.0
  O  O14  1  0.946  0.776  0.164  1.0
  O  O15  1  0.224  0.054  0.336  1.0
  O  O16  1  0.054  0.224  0.836  1.0
  O  O17  1  0.776  0.946  0.664  1.0
  O  O18  1  0.626  0.741  0.290  1.0
  O  O19  1  0.259  0.374  0.210  1.0
  O  O20  1  0.374  0.259  0.710  1.0
  O  O21  1  0.741  0.626  0.790  1.0
  O  O22  1  0.852  0.835  0.410  1.0
  O  O23  1  0.165  0.148  0.090  1.0
  O  O24  1  0.148  0.165  0.590  1.0
  O  O25  1  0.835  0.852  0.910  1.0
  O  O26  1  0.864  0.526  0.344  1.0
  O  O27  1  0.474  0.136  0.156  1.0
  O  O28  1  0.388  0.740  0.091  1.0
  O  O29  1  0.260  0.612  0.409  1.0
  O  O30  1  0.612  0.260  0.909  1.0
  O  O31  1  0.740  0.388  0.591  1.0
  O  O32  1  0.362  0.566  0.901  1.0
  O  O33  1  0.434  0.638  0.599  1.0
  O  O34  1  0.638  0.434  0.099  1.0
  O  O35  1  0.136  0.474  0.656  1.0
  O  O36  1  0.201  0.842  0.911  1.0
  O  O37  1  0.158  0.799  0.589  1.0
  O  O38  1  0.799  0.158  0.089  1.0
  O  O39  1  0.842  0.201  0.411  1.0
  O  O40  1  0.526  0.864  0.844  1.0
  O  O41  1  0.566  0.362  0.401  1.0
[/CIF]
.
The compound described by BaMo2(P2O7)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) 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(2), one O(3), and one O(4) 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 25-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) 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 40-51°. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(1) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one P(2) atom. In the sixth O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the seventh O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. is represented by the CIF file [CIF]
data_BaMo2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.753
_cell_length_b   7.753
_cell_length_c   10.087
_cell_angle_alpha   80.120
_cell_angle_beta   80.120
_cell_angle_gamma   89.322
_symmetry_Int_Tables_number   1
_cell_volume   588.432
_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
  Ba  Ba0  1  0.000  0.500  0.000  1.0
  Ba  Ba1  1  0.500  0.000  0.500  1.0
  Mo  Mo2  1  0.000  1.000  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  Mo  Mo4  1  0.455  0.545  0.250  1.0
  Mo  Mo5  1  0.545  0.455  0.750  1.0
  P  P6  1  0.821  0.732  0.300  1.0
  P  P7  1  0.268  0.179  0.200  1.0
  P  P8  1  0.179  0.268  0.700  1.0
  P  P9  1  0.732  0.821  0.800  1.0
  P  P10  1  0.748  0.367  0.444  1.0
  P  P11  1  0.633  0.252  0.056  1.0
  P  P12  1  0.252  0.633  0.556  1.0
  P  P13  1  0.367  0.748  0.944  1.0
  O  O14  1  0.946  0.776  0.164  1.0
  O  O15  1  0.224  0.054  0.336  1.0
  O  O16  1  0.054  0.224  0.836  1.0
  O  O17  1  0.776  0.946  0.664  1.0
  O  O18  1  0.626  0.741  0.290  1.0
  O  O19  1  0.259  0.374  0.210  1.0
  O  O20  1  0.374  0.259  0.710  1.0
  O  O21  1  0.741  0.626  0.790  1.0
  O  O22  1  0.852  0.835  0.410  1.0
  O  O23  1  0.165  0.148  0.090  1.0
  O  O24  1  0.148  0.165  0.590  1.0
  O  O25  1  0.835  0.852  0.910  1.0
  O  O26  1  0.864  0.526  0.344  1.0
  O  O27  1  0.474  0.136  0.156  1.0
  O  O28  1  0.388  0.740  0.091  1.0
  O  O29  1  0.260  0.612  0.409  1.0
  O  O30  1  0.612  0.260  0.909  1.0
  O  O31  1  0.740  0.388  0.591  1.0
  O  O32  1  0.362  0.566  0.901  1.0
  O  O33  1  0.434  0.638  0.599  1.0
  O  O34  1  0.638  0.434  0.099  1.0
  O  O35  1  0.136  0.474  0.656  1.0
  O  O36  1  0.201  0.842  0.911  1.0
  O  O37  1  0.158  0.799  0.589  1.0
  O  O38  1  0.799  0.158  0.089  1.0
  O  O39  1  0.842  0.201  0.411  1.0
  O  O40  1  0.526  0.864  0.844  1.0
  O  O41  1  0.566  0.362  0.401  1.0
[/CIF]
.