The structure described by Mg2WCr3S8 is Hausmannite-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. W(1) is bonded to six equivalent S(2) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form distorted corner-sharing SMgCr3 trigonal pyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Cr3WS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.316
_cell_length_b   7.315
_cell_length_c   7.315
_cell_angle_alpha   59.496
_cell_angle_beta   59.500
_cell_angle_gamma   59.499
_symmetry_Int_Tables_number   1
_cell_volume   273.661
_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  0.874  0.874  1.0
  Mg  Mg1  1  0.126  0.126  0.126  1.0
  Cr  Cr2  1  0.500  0.500  1.000  1.0
  Cr  Cr3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  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  0.712  1.0
  S  S8  1  0.260  0.712  0.260  1.0
  S  S9  1  0.712  0.260  0.260  1.0
  S  S10  1  0.740  0.288  0.740  1.0
  S  S11  1  0.288  0.740  0.740  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.740  0.740  0.288  1.0
[/CIF]
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The structure described by Mg2WCr3S8 is Hausmannite-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. W(1) is bonded to six equivalent S(2) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form distorted corner-sharing SMgCr3 trigonal pyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Cr3WS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.316
_cell_length_b   7.315
_cell_length_c   7.315
_cell_angle_alpha   59.496
_cell_angle_beta   59.500
_cell_angle_gamma   59.499
_symmetry_Int_Tables_number   1
_cell_volume   273.661
_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  0.874  0.874  1.0
  Mg  Mg1  1  0.126  0.126  0.126  1.0
  Cr  Cr2  1  0.500  0.500  1.000  1.0
  Cr  Cr3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  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  0.712  1.0
  S  S8  1  0.260  0.712  0.260  1.0
  S  S9  1  0.712  0.260  0.260  1.0
  S  S10  1  0.740  0.288  0.740  1.0
  S  S11  1  0.288  0.740  0.740  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.740  0.740  0.288  1.0
[/CIF]
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