The material structure described by Mg2WNi3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra, corners with three equivalent Ni(2)S6 octahedra, and corners with six equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. W(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ni(2)S6 octahedra, and edges with four equivalent Ni(1)S6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, edges with two equivalent Ni(1)S6 octahedra, and edges with two equivalent Ni(2)S6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Ni(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(1), one Ni(1), and one Ni(2) atom. In the second S site, S(2) is bonded to one Mg(1), one Ni(2), and two equivalent Ni(1) atoms to form corner-sharing SMgNi3 tetrahedra. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(1), and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Mg2Ni3WS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.104
_cell_length_b   7.128
_cell_length_c   7.096
_cell_angle_alpha   60.155
_cell_angle_beta   60.089
_cell_angle_gamma   60.185
_symmetry_Int_Tables_number   1
_cell_volume   254.892
_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  0.869  0.893  0.869  1.0
  Mg  Mg1  1  0.131  0.107  0.131  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.500  1.000  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.739  0.733  0.739  1.0
  S  S7  1  0.261  0.267  0.711  1.0
  S  S8  1  0.270  0.689  0.270  1.0
  S  S9  1  0.711  0.267  0.261  1.0
  S  S10  1  0.730  0.311  0.730  1.0
  S  S11  1  0.289  0.733  0.739  1.0
  S  S12  1  0.261  0.267  0.261  1.0
  S  S13  1  0.739  0.733  0.289  1.0
[/CIF]
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The material structure described by Mg2WNi3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra, corners with three equivalent Ni(2)S6 octahedra, and corners with six equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. W(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ni(2)S6 octahedra, and edges with four equivalent Ni(1)S6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, edges with two equivalent Ni(1)S6 octahedra, and edges with two equivalent Ni(2)S6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Ni(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(1), one Ni(1), and one Ni(2) atom. In the second S site, S(2) is bonded to one Mg(1), one Ni(2), and two equivalent Ni(1) atoms to form corner-sharing SMgNi3 tetrahedra. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(1), and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Mg2Ni3WS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.104
_cell_length_b   7.128
_cell_length_c   7.096
_cell_angle_alpha   60.155
_cell_angle_beta   60.089
_cell_angle_gamma   60.185
_symmetry_Int_Tables_number   1
_cell_volume   254.892
_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  0.869  0.893  0.869  1.0
  Mg  Mg1  1  0.131  0.107  0.131  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.500  1.000  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.739  0.733  0.739  1.0
  S  S7  1  0.261  0.267  0.711  1.0
  S  S8  1  0.270  0.689  0.270  1.0
  S  S9  1  0.711  0.267  0.261  1.0
  S  S10  1  0.730  0.311  0.730  1.0
  S  S11  1  0.289  0.733  0.739  1.0
  S  S12  1  0.261  0.267  0.261  1.0
  S  S13  1  0.739  0.733  0.289  1.0
[/CIF]
.