The material described by Mg2WCo3S8 is Hausmannite-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra and corners with nine equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. 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 Co(1)S6 octahedra. Co(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one W(1), and two equivalent Co(1) atoms to form distorted SMgCo2W tetrahedra that share corners with three equivalent S(2)MgCo3 tetrahedra, corners with nine equivalent S(1)MgCo2W tetrahedra,  an edgeedge with one S(2)MgCo3 tetrahedra, and edges with two equivalent S(1)MgCo2W tetrahedra. In the second S site, S(2) is bonded to one Mg(1) and three equivalent Co(1) atoms to form distorted SMgCo3 tetrahedra that share corners with three equivalent S(2)MgCo3 tetrahedra, corners with nine equivalent S(1)MgCo2W tetrahedra, and edges with three equivalent S(1)MgCo2W tetrahedra. is represented by the CIF file [CIF]
data_Mg2Co3WS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.076
_cell_length_b   7.053
_cell_length_c   7.078
_cell_angle_alpha   59.897
_cell_angle_beta   60.004
_cell_angle_gamma   59.884
_symmetry_Int_Tables_number   1
_cell_volume   249.382
_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
  Mg  Mg0  1  0.874  0.879  0.874  1.0
  Mg  Mg1  1  0.126  0.121  0.126  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.741  0.720  0.741  1.0
  S  S7  1  0.259  0.280  0.702  1.0
  S  S8  1  0.269  0.694  0.269  1.0
  S  S9  1  0.702  0.280  0.259  1.0
  S  S10  1  0.731  0.306  0.731  1.0
  S  S11  1  0.298  0.720  0.741  1.0
  S  S12  1  0.259  0.280  0.259  1.0
  S  S13  1  0.741  0.720  0.298  1.0
[/CIF]
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The material described by Mg2WCo3S8 is Hausmannite-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra and corners with nine equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. 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 Co(1)S6 octahedra. Co(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one W(1), and two equivalent Co(1) atoms to form distorted SMgCo2W tetrahedra that share corners with three equivalent S(2)MgCo3 tetrahedra, corners with nine equivalent S(1)MgCo2W tetrahedra,  an edgeedge with one S(2)MgCo3 tetrahedra, and edges with two equivalent S(1)MgCo2W tetrahedra. In the second S site, S(2) is bonded to one Mg(1) and three equivalent Co(1) atoms to form distorted SMgCo3 tetrahedra that share corners with three equivalent S(2)MgCo3 tetrahedra, corners with nine equivalent S(1)MgCo2W tetrahedra, and edges with three equivalent S(1)MgCo2W tetrahedra. is represented by the CIF file [CIF]
data_Mg2Co3WS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.076
_cell_length_b   7.053
_cell_length_c   7.078
_cell_angle_alpha   59.897
_cell_angle_beta   60.004
_cell_angle_gamma   59.884
_symmetry_Int_Tables_number   1
_cell_volume   249.382
_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
  Mg  Mg0  1  0.874  0.879  0.874  1.0
  Mg  Mg1  1  0.126  0.121  0.126  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.741  0.720  0.741  1.0
  S  S7  1  0.259  0.280  0.702  1.0
  S  S8  1  0.269  0.694  0.269  1.0
  S  S9  1  0.702  0.280  0.259  1.0
  S  S10  1  0.731  0.306  0.731  1.0
  S  S11  1  0.298  0.720  0.741  1.0
  S  S12  1  0.259  0.280  0.259  1.0
  S  S13  1  0.741  0.720  0.298  1.0
[/CIF]
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