The structure described by MgWCu2S4 crystallizes in the tetragonal P-42m space group. Mg(1) is bonded to four equivalent S(1) atoms to form 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) and four equivalent S(1) atoms. Cu(1) 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(1)W2S4 tetrahedra, corners with four equivalent Mg(1)S4 tetrahedra, corners with eight equivalent S(1)MgCu2W tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. 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, corners with eight equivalent S(1)MgCu2W tetrahedra, and edges with two equivalent S(1)MgCu2W tetrahedra. is represented by the CIF card [CIF]
data_MgCu2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.449
_cell_length_c   5.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.835
_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  0.500  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  0.239  0.757  0.757  1.0
  S  S5  1  0.761  0.757  0.243  1.0
  S  S6  1  0.761  0.243  0.757  1.0
  S  S7  1  0.239  0.243  0.243  1.0
[/CIF]
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The structure described by MgWCu2S4 crystallizes in the tetragonal P-42m space group. Mg(1) is bonded to four equivalent S(1) atoms to form 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) and four equivalent S(1) atoms. Cu(1) 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(1)W2S4 tetrahedra, corners with four equivalent Mg(1)S4 tetrahedra, corners with eight equivalent S(1)MgCu2W tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. 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, corners with eight equivalent S(1)MgCu2W tetrahedra, and edges with two equivalent S(1)MgCu2W tetrahedra. is represented by the CIF card [CIF]
data_MgCu2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.449
_cell_length_c   5.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.835
_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  0.500  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  0.239  0.757  0.757  1.0
  S  S5  1  0.761  0.757  0.243  1.0
  S  S6  1  0.761  0.243  0.757  1.0
  S  S7  1  0.239  0.243  0.243  1.0
[/CIF]
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