The material described by KMo(PO4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(8), two equivalent O(7), and three equivalent O(6) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) 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(3), one O(4), one O(6), 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 35-39°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) 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 27-43°. 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 three equivalent K(1) and one P(1) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the fourth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mo(1), and one P(1) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mo(1), and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one K(1), one Mo(1), and one P(2) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one P(1) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.730
_cell_length_b   5.083
_cell_length_c   12.516
_cell_angle_alpha   66.942
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.646
_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
  K  K0  1  0.367  0.327  0.948  1.0
  K  K1  1  0.867  0.673  0.552  1.0
  K  K2  1  0.633  0.673  0.052  1.0
  K  K3  1  0.133  0.327  0.448  1.0
  Mo  Mo4  1  0.120  0.093  0.167  1.0
  Mo  Mo5  1  0.620  0.907  0.333  1.0
  Mo  Mo6  1  0.880  0.907  0.833  1.0
  Mo  Mo7  1  0.380  0.093  0.667  1.0
  P  P8  1  0.193  0.617  0.648  1.0
  P  P9  1  0.693  0.383  0.852  1.0
  P  P10  1  0.807  0.383  0.352  1.0
  P  P11  1  0.307  0.617  0.148  1.0
  P  P12  1  0.063  0.389  0.865  1.0
  P  P13  1  0.563  0.611  0.635  1.0
  P  P14  1  0.937  0.611  0.135  1.0
  P  P15  1  0.437  0.389  0.365  1.0
  O  O16  1  0.104  0.204  0.983  1.0
  O  O17  1  0.604  0.796  0.517  1.0
  O  O18  1  0.896  0.796  0.017  1.0
  O  O19  1  0.396  0.204  0.483  1.0
  O  O20  1  0.028  0.743  0.184  1.0
  O  O21  1  0.528  0.257  0.316  1.0
  O  O22  1  0.972  0.257  0.816  1.0
  O  O23  1  0.472  0.743  0.684  1.0
  O  O24  1  0.263  0.907  0.141  1.0
  O  O25  1  0.763  0.093  0.359  1.0
  O  O26  1  0.737  0.093  0.859  1.0
  O  O27  1  0.237  0.907  0.641  1.0
  O  O28  1  0.174  0.432  0.785  1.0
  O  O29  1  0.674  0.568  0.715  1.0
  O  O30  1  0.826  0.568  0.215  1.0
  O  O31  1  0.326  0.432  0.285  1.0
  O  O32  1  0.973  0.313  0.148  1.0
  O  O33  1  0.473  0.687  0.352  1.0
  O  O34  1  0.027  0.687  0.852  1.0
  O  O35  1  0.527  0.313  0.648  1.0
  O  O36  1  0.086  0.645  0.581  1.0
  O  O37  1  0.586  0.355  0.919  1.0
  O  O38  1  0.914  0.355  0.419  1.0
  O  O39  1  0.414  0.645  0.081  1.0
  O  O40  1  0.136  0.005  0.310  1.0
  O  O41  1  0.636  0.995  0.190  1.0
  O  O42  1  0.864  0.995  0.690  1.0
  O  O43  1  0.364  0.005  0.810  1.0
  O  O44  1  0.212  0.457  0.115  1.0
  O  O45  1  0.712  0.543  0.385  1.0
  O  O46  1  0.788  0.543  0.885  1.0
  O  O47  1  0.288  0.457  0.615  1.0
[/CIF]
.
The material described by KMo(PO4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(8), two equivalent O(7), and three equivalent O(6) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) 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(3), one O(4), one O(6), 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 35-39°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) 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 27-43°. 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 three equivalent K(1) and one P(1) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the fourth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mo(1), and one P(1) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mo(1), and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one K(1), one Mo(1), and one P(2) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one P(1) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.730
_cell_length_b   5.083
_cell_length_c   12.516
_cell_angle_alpha   66.942
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.646
_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
  K  K0  1  0.367  0.327  0.948  1.0
  K  K1  1  0.867  0.673  0.552  1.0
  K  K2  1  0.633  0.673  0.052  1.0
  K  K3  1  0.133  0.327  0.448  1.0
  Mo  Mo4  1  0.120  0.093  0.167  1.0
  Mo  Mo5  1  0.620  0.907  0.333  1.0
  Mo  Mo6  1  0.880  0.907  0.833  1.0
  Mo  Mo7  1  0.380  0.093  0.667  1.0
  P  P8  1  0.193  0.617  0.648  1.0
  P  P9  1  0.693  0.383  0.852  1.0
  P  P10  1  0.807  0.383  0.352  1.0
  P  P11  1  0.307  0.617  0.148  1.0
  P  P12  1  0.063  0.389  0.865  1.0
  P  P13  1  0.563  0.611  0.635  1.0
  P  P14  1  0.937  0.611  0.135  1.0
  P  P15  1  0.437  0.389  0.365  1.0
  O  O16  1  0.104  0.204  0.983  1.0
  O  O17  1  0.604  0.796  0.517  1.0
  O  O18  1  0.896  0.796  0.017  1.0
  O  O19  1  0.396  0.204  0.483  1.0
  O  O20  1  0.028  0.743  0.184  1.0
  O  O21  1  0.528  0.257  0.316  1.0
  O  O22  1  0.972  0.257  0.816  1.0
  O  O23  1  0.472  0.743  0.684  1.0
  O  O24  1  0.263  0.907  0.141  1.0
  O  O25  1  0.763  0.093  0.359  1.0
  O  O26  1  0.737  0.093  0.859  1.0
  O  O27  1  0.237  0.907  0.641  1.0
  O  O28  1  0.174  0.432  0.785  1.0
  O  O29  1  0.674  0.568  0.715  1.0
  O  O30  1  0.826  0.568  0.215  1.0
  O  O31  1  0.326  0.432  0.285  1.0
  O  O32  1  0.973  0.313  0.148  1.0
  O  O33  1  0.473  0.687  0.352  1.0
  O  O34  1  0.027  0.687  0.852  1.0
  O  O35  1  0.527  0.313  0.648  1.0
  O  O36  1  0.086  0.645  0.581  1.0
  O  O37  1  0.586  0.355  0.919  1.0
  O  O38  1  0.914  0.355  0.419  1.0
  O  O39  1  0.414  0.645  0.081  1.0
  O  O40  1  0.136  0.005  0.310  1.0
  O  O41  1  0.636  0.995  0.190  1.0
  O  O42  1  0.864  0.995  0.690  1.0
  O  O43  1  0.364  0.005  0.810  1.0
  O  O44  1  0.212  0.457  0.115  1.0
  O  O45  1  0.712  0.543  0.385  1.0
  O  O46  1  0.788  0.543  0.885  1.0
  O  O47  1  0.288  0.457  0.615  1.0
[/CIF]
.