The 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(2) atoms to form MgS6 octahedra that share corners with six equivalent Co(3)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(1) and four equivalent S(2) 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(3)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the second Co site, Co(2) 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 third Co site, Co(3) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. Zn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form ZnS6 octahedra that share corners with six equivalent Co(1)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Zn(1) atom. In the second S site, S(2) 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 corner and edge-sharing SMgZnCo3 square pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.956
_cell_length_b   6.832
_cell_length_c   6.832
_cell_angle_alpha   60.021
_cell_angle_beta   59.126
_cell_angle_gamma   59.126
_symmetry_Int_Tables_number   1
_cell_volume   226.516
_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  0.000  1.0
  Zn  Zn1  1  0.500  0.000  0.000  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.282  0.256  0.256  1.0
  S  S7  1  0.267  0.264  0.705  1.0
  S  S8  1  0.267  0.705  0.264  1.0
  S  S9  1  0.706  0.261  0.261  1.0
  S  S10  1  0.294  0.739  0.739  1.0
  S  S11  1  0.733  0.736  0.295  1.0
  S  S12  1  0.733  0.295  0.736  1.0
  S  S13  1  0.718  0.744  0.744  1.0
[/CIF]
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The 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(2) atoms to form MgS6 octahedra that share corners with six equivalent Co(3)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(1) and four equivalent S(2) 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(3)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the second Co site, Co(2) 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 third Co site, Co(3) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. Zn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form ZnS6 octahedra that share corners with six equivalent Co(1)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Zn(1) atom. In the second S site, S(2) 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 corner and edge-sharing SMgZnCo3 square pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.956
_cell_length_b   6.832
_cell_length_c   6.832
_cell_angle_alpha   60.021
_cell_angle_beta   59.126
_cell_angle_gamma   59.126
_symmetry_Int_Tables_number   1
_cell_volume   226.516
_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  0.000  1.0
  Zn  Zn1  1  0.500  0.000  0.000  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.282  0.256  0.256  1.0
  S  S7  1  0.267  0.264  0.705  1.0
  S  S8  1  0.267  0.705  0.264  1.0
  S  S9  1  0.706  0.261  0.261  1.0
  S  S10  1  0.294  0.739  0.739  1.0
  S  S11  1  0.733  0.736  0.295  1.0
  S  S12  1  0.733  0.295  0.736  1.0
  S  S13  1  0.718  0.744  0.744  1.0
[/CIF]
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