The crystal structure described by K(MoO2)4 crystallizes in the tetragonal P4/n space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are four 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(2), and two equivalent Mo(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(1), and two equivalent Mo(2) 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   3.260
_cell_length_b   7.593
_cell_length_c   7.593
_cell_angle_alpha   87.359
_cell_angle_beta   77.604
_cell_angle_gamma   77.604
_symmetry_Int_Tables_number   1
_cell_volume   179.283
_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  0.250  0.500  0.500  1.0
  Mo  Mo1  1  0.400  0.682  0.017  1.0
  Mo  Mo2  1  0.100  0.318  0.983  1.0
  Mo  Mo3  1  0.918  0.983  0.682  1.0
  Mo  Mo4  1  0.582  0.017  0.318  1.0
  O  O5  1  0.913  0.794  0.880  1.0
  O  O6  1  0.587  0.206  0.120  1.0
  O  O7  1  0.901  0.549  0.149  1.0
  O  O8  1  0.599  0.451  0.851  1.0
  O  O9  1  0.293  0.120  0.794  1.0
  O  O10  1  0.207  0.880  0.206  1.0
  O  O11  1  0.550  0.851  0.549  1.0
  O  O12  1  0.950  0.149  0.451  1.0
[/CIF]
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The crystal structure described by K(MoO2)4 crystallizes in the tetragonal P4/n space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are four 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(2), and two equivalent Mo(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(1), and two equivalent Mo(2) 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   3.260
_cell_length_b   7.593
_cell_length_c   7.593
_cell_angle_alpha   87.359
_cell_angle_beta   77.604
_cell_angle_gamma   77.604
_symmetry_Int_Tables_number   1
_cell_volume   179.283
_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  0.250  0.500  0.500  1.0
  Mo  Mo1  1  0.400  0.682  0.017  1.0
  Mo  Mo2  1  0.100  0.318  0.983  1.0
  Mo  Mo3  1  0.918  0.983  0.682  1.0
  Mo  Mo4  1  0.582  0.017  0.318  1.0
  O  O5  1  0.913  0.794  0.880  1.0
  O  O6  1  0.587  0.206  0.120  1.0
  O  O7  1  0.901  0.549  0.149  1.0
  O  O8  1  0.599  0.451  0.851  1.0
  O  O9  1  0.293  0.120  0.794  1.0
  O  O10  1  0.207  0.880  0.206  1.0
  O  O11  1  0.550  0.851  0.549  1.0
  O  O12  1  0.950  0.149  0.451  1.0
[/CIF]
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