The material structure described by MgWCu2S4 crystallizes in the tetragonal I-4 space group. Mg(1) is bonded to four equivalent S(1) atoms to form distorted MgS4 tetrahedra that share corners with four equivalent W(1)Cu4S4 tetrahedra, corners with four equivalent Cu(1)W2S4 tetrahedra, and edges with two equivalent Cu(1)W2S4 tetrahedra. W(1) is bonded to four equivalent Cu(1) and four equivalent S(1) atoms to form distorted WCu4S4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra, corners with four equivalent W(1)Cu4S4 tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. 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 Mg(1)S4 tetrahedra, corners with two equivalent Cu(1)W2S4 tetrahedra,  an edgeedge with one Mg(1)S4 tetrahedra, edges with two equivalent W(1)Cu4S4 tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. S(1) 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   5.550
_cell_length_b   5.550
_cell_length_c   7.087
_cell_angle_alpha   113.053
_cell_angle_beta   113.053
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.768
_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  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.507  0.007  0.014  1.0
  Cu  Cu2  1  0.993  0.493  0.986  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.878  0.864  0.226  1.0
  S  S5  1  0.348  0.363  0.226  1.0
  S  S6  1  0.136  0.652  0.774  1.0
  S  S7  1  0.637  0.122  0.774  1.0
[/CIF]
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The material structure described by MgWCu2S4 crystallizes in the tetragonal I-4 space group. Mg(1) is bonded to four equivalent S(1) atoms to form distorted MgS4 tetrahedra that share corners with four equivalent W(1)Cu4S4 tetrahedra, corners with four equivalent Cu(1)W2S4 tetrahedra, and edges with two equivalent Cu(1)W2S4 tetrahedra. W(1) is bonded to four equivalent Cu(1) and four equivalent S(1) atoms to form distorted WCu4S4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra, corners with four equivalent W(1)Cu4S4 tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. 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 Mg(1)S4 tetrahedra, corners with two equivalent Cu(1)W2S4 tetrahedra,  an edgeedge with one Mg(1)S4 tetrahedra, edges with two equivalent W(1)Cu4S4 tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. S(1) 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   5.550
_cell_length_b   5.550
_cell_length_c   7.087
_cell_angle_alpha   113.053
_cell_angle_beta   113.053
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.768
_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  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.507  0.007  0.014  1.0
  Cu  Cu2  1  0.993  0.493  0.986  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.878  0.864  0.226  1.0
  S  S5  1  0.348  0.363  0.226  1.0
  S  S6  1  0.136  0.652  0.774  1.0
  S  S7  1  0.637  0.122  0.774  1.0
[/CIF]
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