The material structure described by MgCoCu2SnS4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), two equivalent Sn(1), one S(1), one S(2), one S(3), and one S(4) atom. Co(1) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Cu(1), one Cu(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Cu(1), one Cu(2), 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), one Cu(1), one Cu(2), and one Sn(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Cu(1), one Cu(2), and one Sn(1) atom. is represented by the CIF file [CIF]
data_MgCoCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   6.300
_cell_length_c   6.600
_cell_angle_alpha   118.639
_cell_angle_beta   114.968
_cell_angle_gamma   89.662
_symmetry_Int_Tables_number   1
_cell_volume   177.060
_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  0.499  0.000  0.999  1.0
  Co  Co1  1  0.000  0.999  0.001  1.0
  Cu  Cu2  1  0.774  0.275  0.548  1.0
  Cu  Cu3  1  0.226  0.725  0.450  1.0
  Sn  Sn4  1  0.502  0.502  0.003  1.0
  S  S5  1  0.640  0.062  0.717  1.0
  S  S6  1  0.922  0.938  0.282  1.0
  S  S7  1  0.079  0.655  0.717  1.0
  S  S8  1  0.359  0.343  0.282  1.0
[/CIF]
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The material structure described by MgCoCu2SnS4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), two equivalent Sn(1), one S(1), one S(2), one S(3), and one S(4) atom. Co(1) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Cu(1), one Cu(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Cu(1), one Cu(2), 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), one Cu(1), one Cu(2), and one Sn(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Cu(1), one Cu(2), and one Sn(1) atom. is represented by the CIF file [CIF]
data_MgCoCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   6.300
_cell_length_c   6.600
_cell_angle_alpha   118.639
_cell_angle_beta   114.968
_cell_angle_gamma   89.662
_symmetry_Int_Tables_number   1
_cell_volume   177.060
_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  0.499  0.000  0.999  1.0
  Co  Co1  1  0.000  0.999  0.001  1.0
  Cu  Cu2  1  0.774  0.275  0.548  1.0
  Cu  Cu3  1  0.226  0.725  0.450  1.0
  Sn  Sn4  1  0.502  0.502  0.003  1.0
  S  S5  1  0.640  0.062  0.717  1.0
  S  S6  1  0.922  0.938  0.282  1.0
  S  S7  1  0.079  0.655  0.717  1.0
  S  S8  1  0.359  0.343  0.282  1.0
[/CIF]
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