The material structure described by Mg2V3WS8 is Hausmannite-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra, corners with three equivalent W(1)S6 octahedra, and corners with six equivalent V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with two equivalent W(1)S6 octahedra. W(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one V(1), and two equivalent V(2) atoms to form distorted SMgV3 tetrahedra that share corners with three equivalent S(1)MgV3 tetrahedra, corners with three equivalent S(2)MgV2W trigonal pyramids, corners with six equivalent S(3)MgV2W trigonal pyramids,  an edgeedge with one S(2)MgV2W trigonal pyramid, and edges with two equivalent S(3)MgV2W trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent V(2), and one W(1) atom to form distorted SMgV2W trigonal pyramids that share corners with three equivalent S(1)MgV3 tetrahedra, corners with three equivalent S(2)MgV2W trigonal pyramids, corners with six equivalent S(3)MgV2W trigonal pyramids,  an edgeedge with one S(1)MgV3 tetrahedra, and edges with two equivalent S(3)MgV2W trigonal pyramids. In the third S site, S(3) is bonded to one Mg(1), one V(1), one V(2), and one W(1) atom to form distorted SMgV2W trigonal pyramids that share corners with three equivalent S(1)MgV3 tetrahedra, corners with three equivalent S(2)MgV2W trigonal pyramids, corners with six equivalent S(3)MgV2W trigonal pyramids,  an edgeedge with one S(1)MgV3 tetrahedra,  an edgeedge with one S(2)MgV2W trigonal pyramid, and  an edgeedge with one S(3)MgV2W trigonal pyramid. is represented by the CIF card [CIF]
data_Mg2V3WS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.159
_cell_length_b   7.153
_cell_length_c   7.168
_cell_angle_alpha   61.790
_cell_angle_beta   61.874
_cell_angle_gamma   61.571
_symmetry_Int_Tables_number   1
_cell_volume   269.681
_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  0.875  0.874  0.875  1.0
  Mg  Mg1  1  0.125  0.126  0.125  1.0
  V  V2  1  0.500  0.500  1.000  1.0
  V  V3  1  1.000  0.500  0.500  1.0
  V  V4  1  0.500  1.000  0.500  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.260  0.260  0.720  1.0
  S  S8  1  0.259  0.720  0.260  1.0
  S  S9  1  0.720  0.259  0.260  1.0
  S  S10  1  0.741  0.280  0.740  1.0
  S  S11  1  0.280  0.741  0.740  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.740  0.740  0.280  1.0
[/CIF]
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The material structure described by Mg2V3WS8 is Hausmannite-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra, corners with three equivalent W(1)S6 octahedra, and corners with six equivalent V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with two equivalent W(1)S6 octahedra. W(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one V(1), and two equivalent V(2) atoms to form distorted SMgV3 tetrahedra that share corners with three equivalent S(1)MgV3 tetrahedra, corners with three equivalent S(2)MgV2W trigonal pyramids, corners with six equivalent S(3)MgV2W trigonal pyramids,  an edgeedge with one S(2)MgV2W trigonal pyramid, and edges with two equivalent S(3)MgV2W trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent V(2), and one W(1) atom to form distorted SMgV2W trigonal pyramids that share corners with three equivalent S(1)MgV3 tetrahedra, corners with three equivalent S(2)MgV2W trigonal pyramids, corners with six equivalent S(3)MgV2W trigonal pyramids,  an edgeedge with one S(1)MgV3 tetrahedra, and edges with two equivalent S(3)MgV2W trigonal pyramids. In the third S site, S(3) is bonded to one Mg(1), one V(1), one V(2), and one W(1) atom to form distorted SMgV2W trigonal pyramids that share corners with three equivalent S(1)MgV3 tetrahedra, corners with three equivalent S(2)MgV2W trigonal pyramids, corners with six equivalent S(3)MgV2W trigonal pyramids,  an edgeedge with one S(1)MgV3 tetrahedra,  an edgeedge with one S(2)MgV2W trigonal pyramid, and  an edgeedge with one S(3)MgV2W trigonal pyramid. is represented by the CIF card [CIF]
data_Mg2V3WS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.159
_cell_length_b   7.153
_cell_length_c   7.168
_cell_angle_alpha   61.790
_cell_angle_beta   61.874
_cell_angle_gamma   61.571
_symmetry_Int_Tables_number   1
_cell_volume   269.681
_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  0.875  0.874  0.875  1.0
  Mg  Mg1  1  0.125  0.126  0.125  1.0
  V  V2  1  0.500  0.500  1.000  1.0
  V  V3  1  1.000  0.500  0.500  1.0
  V  V4  1  0.500  1.000  0.500  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.260  0.260  0.720  1.0
  S  S8  1  0.259  0.720  0.260  1.0
  S  S9  1  0.720  0.259  0.260  1.0
  S  S10  1  0.741  0.280  0.740  1.0
  S  S11  1  0.280  0.741  0.740  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.740  0.740  0.280  1.0
[/CIF]
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