The compound described by KMo3(PO7)2 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 8-coordinate geometry to one O(11), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(8), and two equivalent O(3) atoms to form MoO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(8), one O(9), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Mo(1)O5 trigonal bipyramid. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(2), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the second P site, P(2) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 35°. There are eleven inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(3) atom. In the third O site, O(10) is bonded in a distorted single-bond geometry to one Mo(2), one Mo(3), and one P(1) atom. In the fourth O site, O(11) is bonded in a distorted single-bond geometry to one K(1) and one Mo(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to 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 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 K(1) and one Mo(1) atom. In the eighth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Mo(2), and one P(2) atom. In the ninth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one K(1) and one Mo(3) atom. In the tenth O site, O(6) is bonded in a linear geometry to one Mo(3) and one P(2) atom. In the eleventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one Mo(3), and one P(1) atom. is represented by the CIF card [CIF]
data_KMo3(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.508
_cell_length_b   8.954
_cell_length_c   10.816
_cell_angle_alpha   111.113
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.975
_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
  K  K0  1  0.250  0.511  0.748  1.0
  K  K1  1  0.750  0.489  0.252  1.0
  Mo  Mo2  1  0.250  0.840  0.378  1.0
  Mo  Mo3  1  0.750  0.160  0.622  1.0
  Mo  Mo4  1  0.250  0.240  0.326  1.0
  Mo  Mo5  1  0.750  0.760  0.674  1.0
  Mo  Mo6  1  0.250  0.227  0.005  1.0
  Mo  Mo7  1  0.750  0.773  0.995  1.0
  P  P8  1  0.750  0.145  0.935  1.0
  P  P9  1  0.250  0.855  0.065  1.0
  P  P10  1  0.750  0.111  0.301  1.0
  P  P11  1  0.250  0.889  0.699  1.0
  O  O12  1  0.250  0.947  0.580  1.0
  O  O13  1  0.750  0.053  0.420  1.0
  O  O14  1  0.250  0.794  0.181  1.0
  O  O15  1  0.750  0.206  0.819  1.0
  O  O16  1  0.535  0.275  0.630  1.0
  O  O17  1  0.035  0.725  0.370  1.0
  O  O18  1  0.465  0.725  0.370  1.0
  O  O19  1  0.965  0.275  0.630  1.0
  O  O20  1  0.061  0.780  0.691  1.0
  O  O21  1  0.561  0.220  0.309  1.0
  O  O22  1  0.939  0.220  0.309  1.0
  O  O23  1  0.439  0.780  0.691  1.0
  O  O24  1  0.750  0.618  0.052  1.0
  O  O25  1  0.250  0.382  0.948  1.0
  O  O26  1  0.750  0.965  0.172  1.0
  O  O27  1  0.250  0.035  0.828  1.0
  O  O28  1  0.439  0.786  0.976  1.0
  O  O29  1  0.939  0.214  0.024  1.0
  O  O30  1  0.561  0.214  0.024  1.0
  O  O31  1  0.061  0.786  0.976  1.0
  O  O32  1  0.250  0.066  0.385  1.0
  O  O33  1  0.250  0.343  0.201  1.0
  O  O34  1  0.750  0.960  0.886  1.0
  O  O35  1  0.250  0.040  0.114  1.0
  O  O36  1  0.750  0.595  0.531  1.0
  O  O37  1  0.250  0.405  0.469  1.0
  O  O38  1  0.750  0.934  0.615  1.0
  O  O39  1  0.750  0.657  0.799  1.0
[/CIF]
.
The compound described by KMo3(PO7)2 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 8-coordinate geometry to one O(11), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(8), and two equivalent O(3) atoms to form MoO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(8), one O(9), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Mo(1)O5 trigonal bipyramid. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(2), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the second P site, P(2) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 35°. There are eleven inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(3) atom. In the third O site, O(10) is bonded in a distorted single-bond geometry to one Mo(2), one Mo(3), and one P(1) atom. In the fourth O site, O(11) is bonded in a distorted single-bond geometry to one K(1) and one Mo(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to 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 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 K(1) and one Mo(1) atom. In the eighth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Mo(2), and one P(2) atom. In the ninth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one K(1) and one Mo(3) atom. In the tenth O site, O(6) is bonded in a linear geometry to one Mo(3) and one P(2) atom. In the eleventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one Mo(3), and one P(1) atom. is represented by the CIF card [CIF]
data_KMo3(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.508
_cell_length_b   8.954
_cell_length_c   10.816
_cell_angle_alpha   111.113
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.975
_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
  K  K0  1  0.250  0.511  0.748  1.0
  K  K1  1  0.750  0.489  0.252  1.0
  Mo  Mo2  1  0.250  0.840  0.378  1.0
  Mo  Mo3  1  0.750  0.160  0.622  1.0
  Mo  Mo4  1  0.250  0.240  0.326  1.0
  Mo  Mo5  1  0.750  0.760  0.674  1.0
  Mo  Mo6  1  0.250  0.227  0.005  1.0
  Mo  Mo7  1  0.750  0.773  0.995  1.0
  P  P8  1  0.750  0.145  0.935  1.0
  P  P9  1  0.250  0.855  0.065  1.0
  P  P10  1  0.750  0.111  0.301  1.0
  P  P11  1  0.250  0.889  0.699  1.0
  O  O12  1  0.250  0.947  0.580  1.0
  O  O13  1  0.750  0.053  0.420  1.0
  O  O14  1  0.250  0.794  0.181  1.0
  O  O15  1  0.750  0.206  0.819  1.0
  O  O16  1  0.535  0.275  0.630  1.0
  O  O17  1  0.035  0.725  0.370  1.0
  O  O18  1  0.465  0.725  0.370  1.0
  O  O19  1  0.965  0.275  0.630  1.0
  O  O20  1  0.061  0.780  0.691  1.0
  O  O21  1  0.561  0.220  0.309  1.0
  O  O22  1  0.939  0.220  0.309  1.0
  O  O23  1  0.439  0.780  0.691  1.0
  O  O24  1  0.750  0.618  0.052  1.0
  O  O25  1  0.250  0.382  0.948  1.0
  O  O26  1  0.750  0.965  0.172  1.0
  O  O27  1  0.250  0.035  0.828  1.0
  O  O28  1  0.439  0.786  0.976  1.0
  O  O29  1  0.939  0.214  0.024  1.0
  O  O30  1  0.561  0.214  0.024  1.0
  O  O31  1  0.061  0.786  0.976  1.0
  O  O32  1  0.250  0.066  0.385  1.0
  O  O33  1  0.250  0.343  0.201  1.0
  O  O34  1  0.750  0.960  0.886  1.0
  O  O35  1  0.250  0.040  0.114  1.0
  O  O36  1  0.750  0.595  0.531  1.0
  O  O37  1  0.250  0.405  0.469  1.0
  O  O38  1  0.750  0.934  0.615  1.0
  O  O39  1  0.750  0.657  0.799  1.0
[/CIF]
.