The crystal structure described by MgWCu2S4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted MgS4 tetrahedra that share corners with eight equivalent Cu(1)W2S4 tetrahedra. W(1) is bonded in a 8-coordinate geometry to four equivalent Cu(1), one S(2), one S(3), and two equivalent S(1) atoms. Cu(1) is bonded to two equivalent W(1), one S(2), one S(3), and two equivalent S(1) atoms to form distorted CuW2S4 tetrahedra that share corners with two equivalent Cu(1)W2S4 tetrahedra, corners with four equivalent Mg(1)S4 tetrahedra, corners with four equivalent S(1)MgCu2W tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one W(1), and two equivalent Cu(1) atoms to form distorted SMgCu2W tetrahedra that share corners with four equivalent Cu(1)W2S4 tetrahedra and corners with four equivalent S(1)MgCu2W tetrahedra. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_MgCu2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.417
_cell_length_c   7.382
_cell_angle_alpha   110.966
_cell_angle_beta   111.693
_cell_angle_gamma   90.498
_symmetry_Int_Tables_number   1
_cell_volume   185.394
_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  0.738  0.746  0.484  1.0
  Cu  Cu1  1  0.494  0.995  0.988  1.0
  Cu  Cu2  1  0.994  0.494  0.988  1.0
  W  W3  1  0.014  0.015  0.029  1.0
  S  S4  1  0.847  0.843  0.206  1.0
  S  S5  1  0.363  0.360  0.206  1.0
  S  S6  1  0.101  0.668  0.769  1.0
  S  S7  1  0.664  0.105  0.769  1.0
[/CIF]
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The crystal structure described by MgWCu2S4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted MgS4 tetrahedra that share corners with eight equivalent Cu(1)W2S4 tetrahedra. W(1) is bonded in a 8-coordinate geometry to four equivalent Cu(1), one S(2), one S(3), and two equivalent S(1) atoms. Cu(1) is bonded to two equivalent W(1), one S(2), one S(3), and two equivalent S(1) atoms to form distorted CuW2S4 tetrahedra that share corners with two equivalent Cu(1)W2S4 tetrahedra, corners with four equivalent Mg(1)S4 tetrahedra, corners with four equivalent S(1)MgCu2W tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one W(1), and two equivalent Cu(1) atoms to form distorted SMgCu2W tetrahedra that share corners with four equivalent Cu(1)W2S4 tetrahedra and corners with four equivalent S(1)MgCu2W tetrahedra. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_MgCu2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.417
_cell_length_c   7.382
_cell_angle_alpha   110.966
_cell_angle_beta   111.693
_cell_angle_gamma   90.498
_symmetry_Int_Tables_number   1
_cell_volume   185.394
_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  0.738  0.746  0.484  1.0
  Cu  Cu1  1  0.494  0.995  0.988  1.0
  Cu  Cu2  1  0.994  0.494  0.988  1.0
  W  W3  1  0.014  0.015  0.029  1.0
  S  S4  1  0.847  0.843  0.206  1.0
  S  S5  1  0.363  0.360  0.206  1.0
  S  S6  1  0.101  0.668  0.769  1.0
  S  S7  1  0.664  0.105  0.769  1.0
[/CIF]
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