The material structure described by MgCoCu2SnS4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one Sn(1), one S(2), one S(3), and two equivalent S(1) atoms to form distorted MgSnS4 tetrahedra that share corners with two equivalent Co(1)S4 tetrahedra, corners with two equivalent S(1)MgCoCu2Sn trigonal bipyramids,  an edgeedge with one Co(1)S4 tetrahedra, and edges with four equivalent Cu(1)S4 tetrahedra. Co(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CoS4 tetrahedra that share corners with two equivalent Mg(1)SnS4 tetrahedra, corners with eight equivalent Cu(1)S4 tetrahedra, and  an edgeedge with one Mg(1)SnS4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Mg(1)SnS4 tetrahedra. Sn(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Co(1), two equivalent Cu(1), and one Sn(1) atom to form distorted SMgCoCu2Sn trigonal bipyramids that share  a cornercorner with one Mg(1)SnS4 tetrahedra, corners with three equivalent S(1)MgCoCu2Sn trigonal bipyramids, and  an edgeedge with one S(1)MgCoCu2Sn trigonal bipyramid. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), two equivalent Cu(1), and one Sn(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), two equivalent Cu(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgCoCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   5.862
_cell_length_c   6.629
_cell_angle_alpha   112.222
_cell_angle_beta   112.235
_cell_angle_gamma   98.228
_symmetry_Int_Tables_number   1
_cell_volume   184.005
_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  0.740  0.740  0.482  1.0
  Co  Co1  1  0.005  0.005  0.010  1.0
  Cu  Cu2  1  0.759  0.258  0.517  1.0
  Cu  Cu3  1  0.258  0.759  0.517  1.0
  Sn  Sn4  1  0.449  0.449  0.896  1.0
  S  S5  1  0.672  0.087  0.760  1.0
  S  S6  1  0.905  0.905  0.270  1.0
  S  S7  1  0.087  0.672  0.760  1.0
  S  S8  1  0.364  0.364  0.268  1.0
[/CIF]
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The material structure described by MgCoCu2SnS4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one Sn(1), one S(2), one S(3), and two equivalent S(1) atoms to form distorted MgSnS4 tetrahedra that share corners with two equivalent Co(1)S4 tetrahedra, corners with two equivalent S(1)MgCoCu2Sn trigonal bipyramids,  an edgeedge with one Co(1)S4 tetrahedra, and edges with four equivalent Cu(1)S4 tetrahedra. Co(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CoS4 tetrahedra that share corners with two equivalent Mg(1)SnS4 tetrahedra, corners with eight equivalent Cu(1)S4 tetrahedra, and  an edgeedge with one Mg(1)SnS4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Mg(1)SnS4 tetrahedra. Sn(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Co(1), two equivalent Cu(1), and one Sn(1) atom to form distorted SMgCoCu2Sn trigonal bipyramids that share  a cornercorner with one Mg(1)SnS4 tetrahedra, corners with three equivalent S(1)MgCoCu2Sn trigonal bipyramids, and  an edgeedge with one S(1)MgCoCu2Sn trigonal bipyramid. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), two equivalent Cu(1), and one Sn(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), two equivalent Cu(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgCoCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   5.862
_cell_length_c   6.629
_cell_angle_alpha   112.222
_cell_angle_beta   112.235
_cell_angle_gamma   98.228
_symmetry_Int_Tables_number   1
_cell_volume   184.005
_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  0.740  0.740  0.482  1.0
  Co  Co1  1  0.005  0.005  0.010  1.0
  Cu  Cu2  1  0.759  0.258  0.517  1.0
  Cu  Cu3  1  0.258  0.759  0.517  1.0
  Sn  Sn4  1  0.449  0.449  0.896  1.0
  S  S5  1  0.672  0.087  0.760  1.0
  S  S6  1  0.905  0.905  0.270  1.0
  S  S7  1  0.087  0.672  0.760  1.0
  S  S8  1  0.364  0.364  0.268  1.0
[/CIF]
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