The material structure described by MgZn(CoS2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form distorted MgS6 octahedra that share corners with six equivalent Co(2)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CoS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with two equivalent Zn(1)S6 octahedra. In the second Co site, Co(2) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the third Co site, Co(3) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Zn(1)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Zn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted ZnS6 octahedra that share corners with six equivalent Co(3)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Co(1), one Co(2), one Co(3), and one Zn(1) atom to form a mixture of edge and corner-sharing SMgZnCo3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Co(3), two equivalent Co(1), and one Zn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_MgZn(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.989
_cell_length_b   6.989
_cell_length_c   7.085
_cell_angle_alpha   57.237
_cell_angle_beta   57.240
_cell_angle_gamma   58.150
_symmetry_Int_Tables_number   1
_cell_volume   230.836
_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  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.500  1.000  0.500  1.0
  Co  Co3  1  1.000  0.500  0.500  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.767  0.268  0.766  1.0
  S  S7  1  0.244  0.244  0.716  1.0
  S  S8  1  0.233  0.732  0.234  1.0
  S  S9  1  0.732  0.233  0.234  1.0
  S  S10  1  0.262  0.262  0.275  1.0
  S  S11  1  0.738  0.738  0.725  1.0
  S  S12  1  0.268  0.767  0.766  1.0
  S  S13  1  0.756  0.756  0.284  1.0
[/CIF]
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The material structure described by MgZn(CoS2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form distorted MgS6 octahedra that share corners with six equivalent Co(2)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CoS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with two equivalent Zn(1)S6 octahedra. In the second Co site, Co(2) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the third Co site, Co(3) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Zn(1)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Zn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted ZnS6 octahedra that share corners with six equivalent Co(3)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Co(1), one Co(2), one Co(3), and one Zn(1) atom to form a mixture of edge and corner-sharing SMgZnCo3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Co(3), two equivalent Co(1), and one Zn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_MgZn(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.989
_cell_length_b   6.989
_cell_length_c   7.085
_cell_angle_alpha   57.237
_cell_angle_beta   57.240
_cell_angle_gamma   58.150
_symmetry_Int_Tables_number   1
_cell_volume   230.836
_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  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.500  1.000  0.500  1.0
  Co  Co3  1  1.000  0.500  0.500  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.767  0.268  0.766  1.0
  S  S7  1  0.244  0.244  0.716  1.0
  S  S8  1  0.233  0.732  0.234  1.0
  S  S9  1  0.732  0.233  0.234  1.0
  S  S10  1  0.262  0.262  0.275  1.0
  S  S11  1  0.738  0.738  0.725  1.0
  S  S12  1  0.268  0.767  0.766  1.0
  S  S13  1  0.756  0.756  0.284  1.0
[/CIF]
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