The structure described by K2Mo3Al(P2O7)4 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(2), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(12), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(11), two equivalent O(13), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Al(1) is bonded to two equivalent O(12), two equivalent O(14), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(7), and one O(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-53°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the third P site, P(3) is bonded to one O(13), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-45°. In the fourth P site, P(4) is bonded to one O(14), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-45°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(2), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one K(1), one Mo(2), and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one Al(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one K(1), one Mo(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one K(2), one Al(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Al(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2AlMo3(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.520
_cell_length_b   9.171
_cell_length_c   9.503
_cell_angle_alpha   62.289
_cell_angle_beta   77.189
_cell_angle_gamma   100.018
_symmetry_Int_Tables_number   1
_cell_volume   535.859
_cell_formula_units_Z   1
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  0.000  0.250  0.250  1.0
  K  K1  1  0.000  0.750  0.750  1.0
  Al  Al2  1  0.500  0.750  0.750  1.0
  Mo  Mo3  1  0.996  0.999  0.004  1.0
  Mo  Mo4  1  0.004  0.501  0.496  1.0
  Mo  Mo5  1  0.500  0.250  0.250  1.0
  P  P6  1  0.240  0.207  0.596  1.0
  P  P7  1  0.245  0.715  0.084  1.0
  P  P8  1  0.760  0.293  0.904  1.0
  P  P9  1  0.755  0.785  0.416  1.0
  P  P10  1  0.616  0.676  0.067  1.0
  P  P11  1  0.617  0.162  0.584  1.0
  P  P12  1  0.384  0.824  0.433  1.0
  P  P13  1  0.383  0.338  0.916  1.0
  O  O14  1  0.096  0.050  0.760  1.0
  O  O15  1  0.106  0.553  0.250  1.0
  O  O16  1  0.904  0.450  0.740  1.0
  O  O17  1  0.894  0.947  0.250  1.0
  O  O18  1  0.798  0.773  0.068  1.0
  O  O19  1  0.797  0.270  0.576  1.0
  O  O20  1  0.202  0.727  0.432  1.0
  O  O21  1  0.203  0.230  0.924  1.0
  O  O22  1  0.353  0.310  0.095  1.0
  O  O23  1  0.364  0.812  0.600  1.0
  O  O24  1  0.647  0.190  0.405  1.0
  O  O25  1  0.636  0.688  0.900  1.0
  O  O26  1  0.446  0.236  0.617  1.0
  O  O27  1  0.451  0.753  0.106  1.0
  O  O28  1  0.554  0.264  0.883  1.0
  O  O29  1  0.549  0.747  0.394  1.0
  O  O30  1  0.199  0.375  0.554  1.0
  O  O31  1  0.192  0.876  0.054  1.0
  O  O32  1  0.801  0.125  0.946  1.0
  O  O33  1  0.808  0.624  0.446  1.0
  O  O34  1  0.254  0.167  0.456  1.0
  O  O35  1  0.269  0.682  0.939  1.0
  O  O36  1  0.746  0.333  0.044  1.0
  O  O37  1  0.731  0.818  0.561  1.0
  O  O38  1  0.549  0.486  0.214  1.0
  O  O39  1  0.561  0.974  0.715  1.0
  O  O40  1  0.451  0.014  0.286  1.0
  O  O41  1  0.439  0.526  0.785  1.0
[/CIF]
.
The structure described by K2Mo3Al(P2O7)4 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(2), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(12), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(11), two equivalent O(13), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Al(1) is bonded to two equivalent O(12), two equivalent O(14), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(7), and one O(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-53°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the third P site, P(3) is bonded to one O(13), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-45°. In the fourth P site, P(4) is bonded to one O(14), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-45°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(2), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one K(1), one Mo(2), and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one Al(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one K(1), one Mo(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one K(2), one Al(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Al(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2AlMo3(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.520
_cell_length_b   9.171
_cell_length_c   9.503
_cell_angle_alpha   62.289
_cell_angle_beta   77.189
_cell_angle_gamma   100.018
_symmetry_Int_Tables_number   1
_cell_volume   535.859
_cell_formula_units_Z   1
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  0.000  0.250  0.250  1.0
  K  K1  1  0.000  0.750  0.750  1.0
  Al  Al2  1  0.500  0.750  0.750  1.0
  Mo  Mo3  1  0.996  0.999  0.004  1.0
  Mo  Mo4  1  0.004  0.501  0.496  1.0
  Mo  Mo5  1  0.500  0.250  0.250  1.0
  P  P6  1  0.240  0.207  0.596  1.0
  P  P7  1  0.245  0.715  0.084  1.0
  P  P8  1  0.760  0.293  0.904  1.0
  P  P9  1  0.755  0.785  0.416  1.0
  P  P10  1  0.616  0.676  0.067  1.0
  P  P11  1  0.617  0.162  0.584  1.0
  P  P12  1  0.384  0.824  0.433  1.0
  P  P13  1  0.383  0.338  0.916  1.0
  O  O14  1  0.096  0.050  0.760  1.0
  O  O15  1  0.106  0.553  0.250  1.0
  O  O16  1  0.904  0.450  0.740  1.0
  O  O17  1  0.894  0.947  0.250  1.0
  O  O18  1  0.798  0.773  0.068  1.0
  O  O19  1  0.797  0.270  0.576  1.0
  O  O20  1  0.202  0.727  0.432  1.0
  O  O21  1  0.203  0.230  0.924  1.0
  O  O22  1  0.353  0.310  0.095  1.0
  O  O23  1  0.364  0.812  0.600  1.0
  O  O24  1  0.647  0.190  0.405  1.0
  O  O25  1  0.636  0.688  0.900  1.0
  O  O26  1  0.446  0.236  0.617  1.0
  O  O27  1  0.451  0.753  0.106  1.0
  O  O28  1  0.554  0.264  0.883  1.0
  O  O29  1  0.549  0.747  0.394  1.0
  O  O30  1  0.199  0.375  0.554  1.0
  O  O31  1  0.192  0.876  0.054  1.0
  O  O32  1  0.801  0.125  0.946  1.0
  O  O33  1  0.808  0.624  0.446  1.0
  O  O34  1  0.254  0.167  0.456  1.0
  O  O35  1  0.269  0.682  0.939  1.0
  O  O36  1  0.746  0.333  0.044  1.0
  O  O37  1  0.731  0.818  0.561  1.0
  O  O38  1  0.549  0.486  0.214  1.0
  O  O39  1  0.561  0.974  0.715  1.0
  O  O40  1  0.451  0.014  0.286  1.0
  O  O41  1  0.439  0.526  0.785  1.0
[/CIF]
.