The structure described by K2Mo(SO)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent S(2), three equivalent S(1), one O(1), and one O(2) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent O(1), and two equivalent O(2) atoms. Mo(1) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one O(1), and one O(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(2), three equivalent K(1), and one Mo(1) atom to form distorted SK5Mo octahedra that share corners with four equivalent S(1)K5Mo octahedra, corners with two equivalent O(2)K3Mo tetrahedra, edges with two equivalent S(1)K5Mo octahedra, and edges with three equivalent O(2)K3Mo tetrahedra. The corner-sharing octahedral tilt angles range from 11-40°. In the second S site, S(2) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the second O site, O(2) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form distorted OK3Mo tetrahedra that share corners with two equivalent S(1)K5Mo octahedra, corners with two equivalent O(2)K3Mo tetrahedra, and edges with three equivalent S(1)K5Mo octahedra. The corner-sharing octahedral tilt angles range from 53-76°. is represented by the CIF file [CIF]
data_K2Mo(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.402
_cell_length_b   6.687
_cell_length_c   13.918
_cell_angle_alpha   65.336
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.620
_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  0.684  0.673  0.051  1.0
  K  K1  1  0.184  0.327  0.449  1.0
  K  K2  1  0.316  0.327  0.949  1.0
  K  K3  1  0.816  0.673  0.551  1.0
  K  K4  1  0.482  0.849  0.299  1.0
  K  K5  1  0.982  0.151  0.201  1.0
  K  K6  1  0.518  0.151  0.701  1.0
  K  K7  1  0.018  0.849  0.799  1.0
  Mo  Mo8  1  0.207  0.726  0.084  1.0
  Mo  Mo9  1  0.707  0.274  0.416  1.0
  Mo  Mo10  1  0.793  0.274  0.916  1.0
  Mo  Mo11  1  0.293  0.726  0.584  1.0
  S  S12  1  0.161  0.850  0.429  1.0
  S  S13  1  0.661  0.150  0.071  1.0
  S  S14  1  0.839  0.150  0.571  1.0
  S  S15  1  0.339  0.850  0.929  1.0
  S  S16  1  0.333  0.428  0.199  1.0
  S  S17  1  0.833  0.572  0.301  1.0
  S  S18  1  0.667  0.572  0.801  1.0
  S  S19  1  0.167  0.428  0.699  1.0
  O  O20  1  0.012  0.652  0.063  1.0
  O  O21  1  0.512  0.348  0.437  1.0
  O  O22  1  0.988  0.348  0.937  1.0
  O  O23  1  0.488  0.652  0.563  1.0
  O  O24  1  0.207  0.933  0.133  1.0
  O  O25  1  0.707  0.067  0.367  1.0
  O  O26  1  0.793  0.067  0.867  1.0
  O  O27  1  0.293  0.933  0.633  1.0
[/CIF]
.
The structure described by K2Mo(SO)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent S(2), three equivalent S(1), one O(1), and one O(2) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent O(1), and two equivalent O(2) atoms. Mo(1) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one O(1), and one O(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(2), three equivalent K(1), and one Mo(1) atom to form distorted SK5Mo octahedra that share corners with four equivalent S(1)K5Mo octahedra, corners with two equivalent O(2)K3Mo tetrahedra, edges with two equivalent S(1)K5Mo octahedra, and edges with three equivalent O(2)K3Mo tetrahedra. The corner-sharing octahedral tilt angles range from 11-40°. In the second S site, S(2) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the second O site, O(2) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form distorted OK3Mo tetrahedra that share corners with two equivalent S(1)K5Mo octahedra, corners with two equivalent O(2)K3Mo tetrahedra, and edges with three equivalent S(1)K5Mo octahedra. The corner-sharing octahedral tilt angles range from 53-76°. is represented by the CIF file [CIF]
data_K2Mo(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.402
_cell_length_b   6.687
_cell_length_c   13.918
_cell_angle_alpha   65.336
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.620
_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  0.684  0.673  0.051  1.0
  K  K1  1  0.184  0.327  0.449  1.0
  K  K2  1  0.316  0.327  0.949  1.0
  K  K3  1  0.816  0.673  0.551  1.0
  K  K4  1  0.482  0.849  0.299  1.0
  K  K5  1  0.982  0.151  0.201  1.0
  K  K6  1  0.518  0.151  0.701  1.0
  K  K7  1  0.018  0.849  0.799  1.0
  Mo  Mo8  1  0.207  0.726  0.084  1.0
  Mo  Mo9  1  0.707  0.274  0.416  1.0
  Mo  Mo10  1  0.793  0.274  0.916  1.0
  Mo  Mo11  1  0.293  0.726  0.584  1.0
  S  S12  1  0.161  0.850  0.429  1.0
  S  S13  1  0.661  0.150  0.071  1.0
  S  S14  1  0.839  0.150  0.571  1.0
  S  S15  1  0.339  0.850  0.929  1.0
  S  S16  1  0.333  0.428  0.199  1.0
  S  S17  1  0.833  0.572  0.301  1.0
  S  S18  1  0.667  0.572  0.801  1.0
  S  S19  1  0.167  0.428  0.699  1.0
  O  O20  1  0.012  0.652  0.063  1.0
  O  O21  1  0.512  0.348  0.437  1.0
  O  O22  1  0.988  0.348  0.937  1.0
  O  O23  1  0.488  0.652  0.563  1.0
  O  O24  1  0.207  0.933  0.133  1.0
  O  O25  1  0.707  0.067  0.367  1.0
  O  O26  1  0.793  0.067  0.867  1.0
  O  O27  1  0.293  0.933  0.633  1.0
[/CIF]
.