The material structure described by CsMoOP2O7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(8), two equivalent O(1), two equivalent O(6), and three equivalent O(7) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share corners with two 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(2), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share 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 34-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) 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 25-50°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the second O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Mo(1), and one P(2) atom. In the third O site, O(7) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the fourth O site, O(8) is bonded in a bent 150 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mo(1), and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one P(1) atom. In the eighth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   12.039
_cell_length_c   13.287
_cell_angle_alpha   90.000
_cell_angle_beta   111.962
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   780.790
_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
  Cs  Cs0  1  0.283  0.160  0.552  1.0
  Cs  Cs1  1  0.283  0.340  0.052  1.0
  Cs  Cs2  1  0.717  0.840  0.448  1.0
  Cs  Cs3  1  0.717  0.660  0.948  1.0
  Mo  Mo4  1  0.950  0.453  0.688  1.0
  Mo  Mo5  1  0.950  0.047  0.188  1.0
  Mo  Mo6  1  0.050  0.547  0.312  1.0
  Mo  Mo7  1  0.050  0.953  0.812  1.0
  P  P8  1  0.547  0.332  0.809  1.0
  P  P9  1  0.547  0.168  0.309  1.0
  P  P10  1  0.453  0.668  0.191  1.0
  P  P11  1  0.453  0.832  0.691  1.0
  P  P12  1  0.640  0.103  0.917  1.0
  P  P13  1  0.640  0.397  0.417  1.0
  P  P14  1  0.360  0.897  0.083  1.0
  P  P15  1  0.360  0.603  0.583  1.0
  O  O16  1  0.060  0.534  0.802  1.0
  O  O17  1  0.060  0.966  0.302  1.0
  O  O18  1  0.940  0.466  0.198  1.0
  O  O19  1  0.940  0.034  0.698  1.0
  O  O20  1  0.230  0.327  0.750  1.0
  O  O21  1  0.230  0.173  0.250  1.0
  O  O22  1  0.770  0.673  0.250  1.0
  O  O23  1  0.770  0.827  0.750  1.0
  O  O24  1  0.675  0.358  0.725  1.0
  O  O25  1  0.675  0.142  0.225  1.0
  O  O26  1  0.325  0.642  0.275  1.0
  O  O27  1  0.325  0.858  0.775  1.0
  O  O28  1  0.208  0.512  0.618  1.0
  O  O29  1  0.208  0.988  0.118  1.0
  O  O30  1  0.792  0.488  0.382  1.0
  O  O31  1  0.792  0.012  0.882  1.0
  O  O32  1  0.656  0.569  0.602  1.0
  O  O33  1  0.656  0.931  0.102  1.0
  O  O34  1  0.344  0.431  0.398  1.0
  O  O35  1  0.344  0.069  0.898  1.0
  O  O36  1  0.787  0.357  0.533  1.0
  O  O37  1  0.787  0.143  0.033  1.0
  O  O38  1  0.213  0.643  0.467  1.0
  O  O39  1  0.213  0.857  0.967  1.0
  O  O40  1  0.649  0.400  0.911  1.0
  O  O41  1  0.649  0.100  0.411  1.0
  O  O42  1  0.351  0.600  0.089  1.0
  O  O43  1  0.351  0.900  0.589  1.0
  O  O44  1  0.629  0.202  0.835  1.0
  O  O45  1  0.629  0.298  0.335  1.0
  O  O46  1  0.371  0.798  0.165  1.0
  O  O47  1  0.371  0.702  0.665  1.0
[/CIF]
.
The material structure described by CsMoOP2O7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(8), two equivalent O(1), two equivalent O(6), and three equivalent O(7) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share corners with two 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(2), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share 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 34-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) 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 25-50°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the second O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Mo(1), and one P(2) atom. In the third O site, O(7) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the fourth O site, O(8) is bonded in a bent 150 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mo(1), and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one P(1) atom. In the eighth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   12.039
_cell_length_c   13.287
_cell_angle_alpha   90.000
_cell_angle_beta   111.962
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   780.790
_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
  Cs  Cs0  1  0.283  0.160  0.552  1.0
  Cs  Cs1  1  0.283  0.340  0.052  1.0
  Cs  Cs2  1  0.717  0.840  0.448  1.0
  Cs  Cs3  1  0.717  0.660  0.948  1.0
  Mo  Mo4  1  0.950  0.453  0.688  1.0
  Mo  Mo5  1  0.950  0.047  0.188  1.0
  Mo  Mo6  1  0.050  0.547  0.312  1.0
  Mo  Mo7  1  0.050  0.953  0.812  1.0
  P  P8  1  0.547  0.332  0.809  1.0
  P  P9  1  0.547  0.168  0.309  1.0
  P  P10  1  0.453  0.668  0.191  1.0
  P  P11  1  0.453  0.832  0.691  1.0
  P  P12  1  0.640  0.103  0.917  1.0
  P  P13  1  0.640  0.397  0.417  1.0
  P  P14  1  0.360  0.897  0.083  1.0
  P  P15  1  0.360  0.603  0.583  1.0
  O  O16  1  0.060  0.534  0.802  1.0
  O  O17  1  0.060  0.966  0.302  1.0
  O  O18  1  0.940  0.466  0.198  1.0
  O  O19  1  0.940  0.034  0.698  1.0
  O  O20  1  0.230  0.327  0.750  1.0
  O  O21  1  0.230  0.173  0.250  1.0
  O  O22  1  0.770  0.673  0.250  1.0
  O  O23  1  0.770  0.827  0.750  1.0
  O  O24  1  0.675  0.358  0.725  1.0
  O  O25  1  0.675  0.142  0.225  1.0
  O  O26  1  0.325  0.642  0.275  1.0
  O  O27  1  0.325  0.858  0.775  1.0
  O  O28  1  0.208  0.512  0.618  1.0
  O  O29  1  0.208  0.988  0.118  1.0
  O  O30  1  0.792  0.488  0.382  1.0
  O  O31  1  0.792  0.012  0.882  1.0
  O  O32  1  0.656  0.569  0.602  1.0
  O  O33  1  0.656  0.931  0.102  1.0
  O  O34  1  0.344  0.431  0.398  1.0
  O  O35  1  0.344  0.069  0.898  1.0
  O  O36  1  0.787  0.357  0.533  1.0
  O  O37  1  0.787  0.143  0.033  1.0
  O  O38  1  0.213  0.643  0.467  1.0
  O  O39  1  0.213  0.857  0.967  1.0
  O  O40  1  0.649  0.400  0.911  1.0
  O  O41  1  0.649  0.100  0.411  1.0
  O  O42  1  0.351  0.600  0.089  1.0
  O  O43  1  0.351  0.900  0.589  1.0
  O  O44  1  0.629  0.202  0.835  1.0
  O  O45  1  0.629  0.298  0.335  1.0
  O  O46  1  0.371  0.798  0.165  1.0
  O  O47  1  0.371  0.702  0.665  1.0
[/CIF]
.