The material structure described by MgZn2(CoS2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to one Co(1), one Co(3), one S(1), one S(4), and two equivalent S(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Mg(1), one S(3), two equivalent S(2), and two equivalent S(5) atoms. In the second Co site, Co(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form CoS6 octahedra that share corners with three equivalent Zn(1)S4 tetrahedra, corners with three equivalent Zn(2)S4 tetrahedra, and edges with two equivalent Co(2)S6 octahedra. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one Mg(1), one S(6), two equivalent S(2), and two equivalent S(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(1), one S(4), and two equivalent S(5) atoms to form distorted ZnS4 tetrahedra that share corners with six equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-70°. In the second Zn site, Zn(2) is bonded to one S(3), one S(6), and two equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with six equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Co(2), and one Zn(1) atom to form distorted SMgZnCo2 tetrahedra that share corners with four equivalent S(5)ZnCo3 tetrahedra, corners with two equivalent S(3)ZnCo3 trigonal pyramids, corners with two equivalent S(6)ZnCo3 trigonal pyramids, and edges with two equivalent S(4)MgZnCo2 tetrahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(3), and one Zn(2) atom. In the third S site, S(3) is bonded to one Co(1), two equivalent Co(2), and one Zn(2) atom to form distorted SZnCo3 trigonal pyramids that share corners with two equivalent S(1)MgZnCo2 tetrahedra, corners with two equivalent S(4)MgZnCo2 tetrahedra, corners with four equivalent S(5)ZnCo3 tetrahedra,  a cornercorner with one S(6)ZnCo3 trigonal pyramid, and  an edgeedge with one S(6)ZnCo3 trigonal pyramid. In the fourth S site, S(4) is bonded to one Mg(1), two equivalent Co(2), and one Zn(1) atom to form distorted SMgZnCo2 tetrahedra that share corners with four equivalent S(5)ZnCo3 tetrahedra, corners with two equivalent S(3)ZnCo3 trigonal pyramids, corners with two equivalent S(6)ZnCo3 trigonal pyramids, and edges with two equivalent S(1)MgZnCo2 tetrahedra. In the fifth S site, S(5) is bonded to one Co(1), one Co(2), one Co(3), and one Zn(1) atom to form SZnCo3 tetrahedra that share  a cornercorner with one S(5)ZnCo3 tetrahedra, corners with two equivalent S(1)MgZnCo2 tetrahedra, corners with two equivalent S(4)MgZnCo2 tetrahedra, corners with two equivalent S(3)ZnCo3 trigonal pyramids, corners with two equivalent S(6)ZnCo3 trigonal pyramids, and  an edgeedge with one S(5)ZnCo3 tetrahedra. In the sixth S site, S(6) is bonded to one Co(3), two equivalent Co(2), and one Zn(2) atom to form distorted SZnCo3 trigonal pyramids that share corners with two equivalent S(1)MgZnCo2 tetrahedra, corners with two equivalent S(4)MgZnCo2 tetrahedra, corners with four equivalent S(5)ZnCo3 tetrahedra,  a cornercorner with one S(3)ZnCo3 trigonal pyramid, and  an edgeedge with one S(3)ZnCo3 trigonal pyramid. is represented by the CIF card [CIF]
data_MgZn2(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.173
_cell_length_b   6.733
_cell_length_c   7.172
_cell_angle_alpha   61.932
_cell_angle_beta   57.889
_cell_angle_gamma   61.937
_symmetry_Int_Tables_number   1
_cell_volume   247.361
_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  0.649  0.104  0.649  1.0
  Zn  Zn1  1  0.927  0.822  0.927  1.0
  Zn  Zn2  1  0.097  0.153  0.097  1.0
  Co  Co3  1  0.472  0.539  0.472  1.0
  Co  Co4  1  0.497  0.502  0.999  1.0
  Co  Co5  1  0.998  0.502  0.497  1.0
  Co  Co6  1  0.474  0.015  0.474  1.0
  S  S7  1  0.777  0.692  0.777  1.0
  S  S8  1  0.246  0.287  0.681  1.0
  S  S9  1  0.246  0.726  0.246  1.0
  S  S10  1  0.681  0.287  0.246  1.0
  S  S11  1  0.779  0.252  0.779  1.0
  S  S12  1  0.322  0.721  0.735  1.0
  S  S13  1  0.247  0.279  0.247  1.0
  S  S14  1  0.735  0.721  0.322  1.0
[/CIF]
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The material structure described by MgZn2(CoS2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to one Co(1), one Co(3), one S(1), one S(4), and two equivalent S(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Mg(1), one S(3), two equivalent S(2), and two equivalent S(5) atoms. In the second Co site, Co(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form CoS6 octahedra that share corners with three equivalent Zn(1)S4 tetrahedra, corners with three equivalent Zn(2)S4 tetrahedra, and edges with two equivalent Co(2)S6 octahedra. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one Mg(1), one S(6), two equivalent S(2), and two equivalent S(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(1), one S(4), and two equivalent S(5) atoms to form distorted ZnS4 tetrahedra that share corners with six equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-70°. In the second Zn site, Zn(2) is bonded to one S(3), one S(6), and two equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with six equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Co(2), and one Zn(1) atom to form distorted SMgZnCo2 tetrahedra that share corners with four equivalent S(5)ZnCo3 tetrahedra, corners with two equivalent S(3)ZnCo3 trigonal pyramids, corners with two equivalent S(6)ZnCo3 trigonal pyramids, and edges with two equivalent S(4)MgZnCo2 tetrahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(3), and one Zn(2) atom. In the third S site, S(3) is bonded to one Co(1), two equivalent Co(2), and one Zn(2) atom to form distorted SZnCo3 trigonal pyramids that share corners with two equivalent S(1)MgZnCo2 tetrahedra, corners with two equivalent S(4)MgZnCo2 tetrahedra, corners with four equivalent S(5)ZnCo3 tetrahedra,  a cornercorner with one S(6)ZnCo3 trigonal pyramid, and  an edgeedge with one S(6)ZnCo3 trigonal pyramid. In the fourth S site, S(4) is bonded to one Mg(1), two equivalent Co(2), and one Zn(1) atom to form distorted SMgZnCo2 tetrahedra that share corners with four equivalent S(5)ZnCo3 tetrahedra, corners with two equivalent S(3)ZnCo3 trigonal pyramids, corners with two equivalent S(6)ZnCo3 trigonal pyramids, and edges with two equivalent S(1)MgZnCo2 tetrahedra. In the fifth S site, S(5) is bonded to one Co(1), one Co(2), one Co(3), and one Zn(1) atom to form SZnCo3 tetrahedra that share  a cornercorner with one S(5)ZnCo3 tetrahedra, corners with two equivalent S(1)MgZnCo2 tetrahedra, corners with two equivalent S(4)MgZnCo2 tetrahedra, corners with two equivalent S(3)ZnCo3 trigonal pyramids, corners with two equivalent S(6)ZnCo3 trigonal pyramids, and  an edgeedge with one S(5)ZnCo3 tetrahedra. In the sixth S site, S(6) is bonded to one Co(3), two equivalent Co(2), and one Zn(2) atom to form distorted SZnCo3 trigonal pyramids that share corners with two equivalent S(1)MgZnCo2 tetrahedra, corners with two equivalent S(4)MgZnCo2 tetrahedra, corners with four equivalent S(5)ZnCo3 tetrahedra,  a cornercorner with one S(3)ZnCo3 trigonal pyramid, and  an edgeedge with one S(3)ZnCo3 trigonal pyramid. is represented by the CIF card [CIF]
data_MgZn2(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.173
_cell_length_b   6.733
_cell_length_c   7.172
_cell_angle_alpha   61.932
_cell_angle_beta   57.889
_cell_angle_gamma   61.937
_symmetry_Int_Tables_number   1
_cell_volume   247.361
_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  0.649  0.104  0.649  1.0
  Zn  Zn1  1  0.927  0.822  0.927  1.0
  Zn  Zn2  1  0.097  0.153  0.097  1.0
  Co  Co3  1  0.472  0.539  0.472  1.0
  Co  Co4  1  0.497  0.502  0.999  1.0
  Co  Co5  1  0.998  0.502  0.497  1.0
  Co  Co6  1  0.474  0.015  0.474  1.0
  S  S7  1  0.777  0.692  0.777  1.0
  S  S8  1  0.246  0.287  0.681  1.0
  S  S9  1  0.246  0.726  0.246  1.0
  S  S10  1  0.681  0.287  0.246  1.0
  S  S11  1  0.779  0.252  0.779  1.0
  S  S12  1  0.322  0.721  0.735  1.0
  S  S13  1  0.247  0.279  0.247  1.0
  S  S14  1  0.735  0.721  0.322  1.0
[/CIF]
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