The material described by MgWMoS4 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one S(1), one S(5), and two equivalent S(4) atoms to form MgS4 tetrahedra that share corners with six equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 62-76°. In the second Mg site, Mg(2) is bonded to one S(3), one S(6), and two equivalent S(2) atoms to form distorted MgS4 trigonal pyramids that share corners with six equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one S(3), one S(5), two equivalent S(2), and two equivalent S(4) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one S(1), one S(6), two equivalent S(2), and two equivalent S(4) atoms. Mo(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form distorted MoS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Mg(2)S4 trigonal pyramids, and edges with two equivalent Mo(1)S6 octahedra. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one W(2), and two equivalent Mo(1) atoms to form distorted SMgMo2W tetrahedra that share  a cornercorner with one S(5)MgMo2W tetrahedra, corners with two equivalent S(4)MgMoW2 tetrahedra,  an edgeedge with one S(5)MgMo2W tetrahedra, and edges with two equivalent S(4)MgMoW2 tetrahedra. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(2), one W(1), one W(2), and one Mo(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mg(2), one W(1), and two equivalent Mo(1) atoms. In the fourth S site, S(4) is bonded to one Mg(1), one W(1), one W(2), and one Mo(1) atom to form distorted SMgMoW2 tetrahedra that share  a cornercorner with one S(1)MgMo2W tetrahedra,  a cornercorner with one S(5)MgMo2W tetrahedra,  a cornercorner with one S(4)MgMoW2 tetrahedra,  an edgeedge with one S(1)MgMo2W tetrahedra,  an edgeedge with one S(5)MgMo2W tetrahedra, and  an edgeedge with one S(4)MgMoW2 tetrahedra. In the fifth S site, S(5) is bonded to one Mg(1), one W(1), and two equivalent Mo(1) atoms to form distorted SMgMo2W tetrahedra that share  a cornercorner with one S(1)MgMo2W tetrahedra, corners with two equivalent S(4)MgMoW2 tetrahedra,  an edgeedge with one S(1)MgMo2W tetrahedra, and edges with two equivalent S(4)MgMoW2 tetrahedra. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one Mg(2), one W(2), and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_MgMoWS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.314
_cell_length_b   7.073
_cell_length_c   7.079
_cell_angle_alpha   65.243
_cell_angle_beta   58.980
_cell_angle_gamma   59.001
_symmetry_Int_Tables_number   1
_cell_volume   263.049
_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  0.857  0.889  0.889  1.0
  Mg  Mg1  1  0.107  0.142  0.142  1.0
  Mo  Mo2  1  0.478  0.510  0.035  1.0
  Mo  Mo3  1  0.478  0.035  0.509  1.0
  W  W4  1  0.482  0.474  0.475  1.0
  W  W5  1  0.071  0.473  0.473  1.0
  S  S6  1  0.727  0.743  0.744  1.0
  S  S7  1  0.227  0.295  0.753  1.0
  S  S8  1  0.227  0.752  0.295  1.0
  S  S9  1  0.732  0.223  0.223  1.0
  S  S10  1  0.755  0.294  0.699  1.0
  S  S11  1  0.283  0.747  0.747  1.0
  S  S12  1  0.323  0.223  0.222  1.0
  S  S13  1  0.755  0.699  0.295  1.0
[/CIF]
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The material described by MgWMoS4 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one S(1), one S(5), and two equivalent S(4) atoms to form MgS4 tetrahedra that share corners with six equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 62-76°. In the second Mg site, Mg(2) is bonded to one S(3), one S(6), and two equivalent S(2) atoms to form distorted MgS4 trigonal pyramids that share corners with six equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one S(3), one S(5), two equivalent S(2), and two equivalent S(4) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one S(1), one S(6), two equivalent S(2), and two equivalent S(4) atoms. Mo(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form distorted MoS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Mg(2)S4 trigonal pyramids, and edges with two equivalent Mo(1)S6 octahedra. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one W(2), and two equivalent Mo(1) atoms to form distorted SMgMo2W tetrahedra that share  a cornercorner with one S(5)MgMo2W tetrahedra, corners with two equivalent S(4)MgMoW2 tetrahedra,  an edgeedge with one S(5)MgMo2W tetrahedra, and edges with two equivalent S(4)MgMoW2 tetrahedra. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(2), one W(1), one W(2), and one Mo(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mg(2), one W(1), and two equivalent Mo(1) atoms. In the fourth S site, S(4) is bonded to one Mg(1), one W(1), one W(2), and one Mo(1) atom to form distorted SMgMoW2 tetrahedra that share  a cornercorner with one S(1)MgMo2W tetrahedra,  a cornercorner with one S(5)MgMo2W tetrahedra,  a cornercorner with one S(4)MgMoW2 tetrahedra,  an edgeedge with one S(1)MgMo2W tetrahedra,  an edgeedge with one S(5)MgMo2W tetrahedra, and  an edgeedge with one S(4)MgMoW2 tetrahedra. In the fifth S site, S(5) is bonded to one Mg(1), one W(1), and two equivalent Mo(1) atoms to form distorted SMgMo2W tetrahedra that share  a cornercorner with one S(1)MgMo2W tetrahedra, corners with two equivalent S(4)MgMoW2 tetrahedra,  an edgeedge with one S(1)MgMo2W tetrahedra, and edges with two equivalent S(4)MgMoW2 tetrahedra. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one Mg(2), one W(2), and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_MgMoWS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.314
_cell_length_b   7.073
_cell_length_c   7.079
_cell_angle_alpha   65.243
_cell_angle_beta   58.980
_cell_angle_gamma   59.001
_symmetry_Int_Tables_number   1
_cell_volume   263.049
_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  0.857  0.889  0.889  1.0
  Mg  Mg1  1  0.107  0.142  0.142  1.0
  Mo  Mo2  1  0.478  0.510  0.035  1.0
  Mo  Mo3  1  0.478  0.035  0.509  1.0
  W  W4  1  0.482  0.474  0.475  1.0
  W  W5  1  0.071  0.473  0.473  1.0
  S  S6  1  0.727  0.743  0.744  1.0
  S  S7  1  0.227  0.295  0.753  1.0
  S  S8  1  0.227  0.752  0.295  1.0
  S  S9  1  0.732  0.223  0.223  1.0
  S  S10  1  0.755  0.294  0.699  1.0
  S  S11  1  0.283  0.747  0.747  1.0
  S  S12  1  0.323  0.223  0.222  1.0
  S  S13  1  0.755  0.699  0.295  1.0
[/CIF]
.