The structure described by MgWCu2S4 crystallizes in the orthorhombic P222 space group. Mg(1) is bonded to four equivalent S(1) atoms to form distorted MgS4 tetrahedra that share edges with two equivalent Cu(2)W2S4 tetrahedra. W(1) is bonded in a 8-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), and four equivalent S(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent W(1) and four equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded to two equivalent W(1) and four equivalent S(1) atoms to form distorted CuW2S4 tetrahedra that share corners with two equivalent Cu(2)W2S4 tetrahedra and edges with two equivalent Mg(1)S4 tetrahedra. S(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one W(1), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.163
_cell_length_b   5.331
_cell_length_c   5.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.253
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.230  0.767  0.756  1.0
  S  S5  1  0.770  0.767  0.244  1.0
  S  S6  1  0.770  0.233  0.756  1.0
  S  S7  1  0.230  0.233  0.244  1.0
[/CIF]
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The structure described by MgWCu2S4 crystallizes in the orthorhombic P222 space group. Mg(1) is bonded to four equivalent S(1) atoms to form distorted MgS4 tetrahedra that share edges with two equivalent Cu(2)W2S4 tetrahedra. W(1) is bonded in a 8-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), and four equivalent S(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent W(1) and four equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded to two equivalent W(1) and four equivalent S(1) atoms to form distorted CuW2S4 tetrahedra that share corners with two equivalent Cu(2)W2S4 tetrahedra and edges with two equivalent Mg(1)S4 tetrahedra. S(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one W(1), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.163
_cell_length_b   5.331
_cell_length_c   5.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.253
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.230  0.767  0.756  1.0
  S  S5  1  0.770  0.767  0.244  1.0
  S  S6  1  0.770  0.233  0.756  1.0
  S  S7  1  0.230  0.233  0.244  1.0
[/CIF]
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