The structure described by Mg(WS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with twelve equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. W(1) is bonded to six equivalent S(1) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent W(1)S6 octahedra. S(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Mg(WS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.234
_cell_length_b   7.234
_cell_length_c   7.235
_cell_angle_alpha   60.007
_cell_angle_beta   60.005
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   267.729
_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
  Mg  Mg0  1  0.875  0.875  0.875  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  W  W2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.500  0.500  0.000  1.0
  W  W4  1  1.000  0.500  0.500  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.741  0.741  0.741  1.0
  S  S7  1  0.259  0.259  0.724  1.0
  S  S8  1  0.259  0.724  0.259  1.0
  S  S9  1  0.724  0.259  0.259  1.0
  S  S10  1  0.741  0.276  0.741  1.0
  S  S11  1  0.276  0.741  0.741  1.0
  S  S12  1  0.259  0.259  0.259  1.0
  S  S13  1  0.741  0.741  0.276  1.0
[/CIF]
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The structure described by Mg(WS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with twelve equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. W(1) is bonded to six equivalent S(1) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent W(1)S6 octahedra. S(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Mg(WS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.234
_cell_length_b   7.234
_cell_length_c   7.235
_cell_angle_alpha   60.007
_cell_angle_beta   60.005
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   267.729
_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
  Mg  Mg0  1  0.875  0.875  0.875  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  W  W2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.500  0.500  0.000  1.0
  W  W4  1  1.000  0.500  0.500  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.741  0.741  0.741  1.0
  S  S7  1  0.259  0.259  0.724  1.0
  S  S8  1  0.259  0.724  0.259  1.0
  S  S9  1  0.724  0.259  0.259  1.0
  S  S10  1  0.741  0.276  0.741  1.0
  S  S11  1  0.276  0.741  0.741  1.0
  S  S12  1  0.259  0.259  0.259  1.0
  S  S13  1  0.741  0.741  0.276  1.0
[/CIF]
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