The crystal structure described by K(MoO2)4 crystallizes in the monoclinic P2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second K site, K(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Mo site, Mo(3) is bonded to one O(2), one O(5), one O(7), one O(8), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(1), and two equivalent Mo(2) atoms. In the second O site, O(5) is bonded in a trigonal planar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one K(2), one Mo(4), and two equivalent Mo(3) atoms. In the fourth O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(3), and two equivalent Mo(4) atoms. In the fifth O site, O(8) is bonded in a trigonal planar geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the sixth O site, O(1) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the seventh O site, O(2) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(2), and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K(MoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.271
_cell_length_b   10.498
_cell_length_c   10.667
_cell_angle_alpha   91.745
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.125
_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  0.732  0.750  0.250  1.0
  K  K1  1  0.268  0.250  0.750  1.0
  Mo  Mo2  1  0.743  0.083  0.403  1.0
  Mo  Mo3  1  0.743  0.417  0.097  1.0
  Mo  Mo4  1  0.257  0.917  0.597  1.0
  Mo  Mo5  1  0.257  0.583  0.903  1.0
  Mo  Mo6  1  0.253  0.401  0.411  1.0
  Mo  Mo7  1  0.253  0.099  0.089  1.0
  Mo  Mo8  1  0.747  0.599  0.589  1.0
  Mo  Mo9  1  0.747  0.901  0.911  1.0
  O  O10  1  0.231  0.210  0.412  1.0
  O  O11  1  0.231  0.290  0.088  1.0
  O  O12  1  0.769  0.790  0.588  1.0
  O  O13  1  0.769  0.710  0.912  1.0
  O  O14  1  0.250  0.950  0.402  1.0
  O  O15  1  0.250  0.550  0.098  1.0
  O  O16  1  0.750  0.050  0.598  1.0
  O  O17  1  0.750  0.450  0.902  1.0
  O  O18  1  0.269  0.913  0.792  1.0
  O  O19  1  0.269  0.587  0.708  1.0
  O  O20  1  0.731  0.087  0.208  1.0
  O  O21  1  0.731  0.413  0.292  1.0
  O  O22  1  0.244  0.906  0.043  1.0
  O  O23  1  0.244  0.594  0.457  1.0
  O  O24  1  0.756  0.094  0.957  1.0
  O  O25  1  0.756  0.406  0.543  1.0
[/CIF]
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The crystal structure described by K(MoO2)4 crystallizes in the monoclinic P2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second K site, K(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Mo site, Mo(3) is bonded to one O(2), one O(5), one O(7), one O(8), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(1), and two equivalent Mo(2) atoms. In the second O site, O(5) is bonded in a trigonal planar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one K(2), one Mo(4), and two equivalent Mo(3) atoms. In the fourth O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(3), and two equivalent Mo(4) atoms. In the fifth O site, O(8) is bonded in a trigonal planar geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the sixth O site, O(1) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the seventh O site, O(2) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(2), and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K(MoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.271
_cell_length_b   10.498
_cell_length_c   10.667
_cell_angle_alpha   91.745
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.125
_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  0.732  0.750  0.250  1.0
  K  K1  1  0.268  0.250  0.750  1.0
  Mo  Mo2  1  0.743  0.083  0.403  1.0
  Mo  Mo3  1  0.743  0.417  0.097  1.0
  Mo  Mo4  1  0.257  0.917  0.597  1.0
  Mo  Mo5  1  0.257  0.583  0.903  1.0
  Mo  Mo6  1  0.253  0.401  0.411  1.0
  Mo  Mo7  1  0.253  0.099  0.089  1.0
  Mo  Mo8  1  0.747  0.599  0.589  1.0
  Mo  Mo9  1  0.747  0.901  0.911  1.0
  O  O10  1  0.231  0.210  0.412  1.0
  O  O11  1  0.231  0.290  0.088  1.0
  O  O12  1  0.769  0.790  0.588  1.0
  O  O13  1  0.769  0.710  0.912  1.0
  O  O14  1  0.250  0.950  0.402  1.0
  O  O15  1  0.250  0.550  0.098  1.0
  O  O16  1  0.750  0.050  0.598  1.0
  O  O17  1  0.750  0.450  0.902  1.0
  O  O18  1  0.269  0.913  0.792  1.0
  O  O19  1  0.269  0.587  0.708  1.0
  O  O20  1  0.731  0.087  0.208  1.0
  O  O21  1  0.731  0.413  0.292  1.0
  O  O22  1  0.244  0.906  0.043  1.0
  O  O23  1  0.244  0.594  0.457  1.0
  O  O24  1  0.756  0.094  0.957  1.0
  O  O25  1  0.756  0.406  0.543  1.0
[/CIF]
.