The compound described by MgZn2(CoS2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent Co(1), two equivalent Co(2), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(4) atoms. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to two equivalent S(2) and two equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Co(1), two equivalent Co(2), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SZnCo3 trigonal pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Co(2), two equivalent Co(1), and one Zn(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), two equivalent Co(2), and one Zn(2) atom. In the fourth S site, S(4) is bonded to one Co(2), two equivalent Co(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SZnCo3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgZn2(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.268
_cell_length_b   7.259
_cell_length_c   7.261
_cell_angle_alpha   60.064
_cell_angle_beta   59.966
_cell_angle_gamma   59.960
_symmetry_Int_Tables_number   1
_cell_volume   270.848
_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  0.374  0.376  0.376  1.0
  Zn  Zn1  1  0.875  0.875  0.875  1.0
  Zn  Zn2  1  0.124  0.126  0.126  1.0
  Co  Co3  1  0.514  0.513  0.513  1.0
  Co  Co4  1  0.513  0.513  0.961  1.0
  Co  Co5  1  0.960  0.513  0.513  1.0
  Co  Co6  1  0.513  0.961  0.513  1.0
  S  S7  1  0.729  0.730  0.730  1.0
  S  S8  1  0.252  0.250  0.746  1.0
  S  S9  1  0.252  0.746  0.250  1.0
  S  S10  1  0.743  0.252  0.252  1.0
  S  S11  1  0.729  0.311  0.730  1.0
  S  S12  1  0.311  0.730  0.730  1.0
  S  S13  1  0.253  0.252  0.252  1.0
  S  S14  1  0.729  0.730  0.311  1.0
[/CIF]
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The compound described by MgZn2(CoS2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent Co(1), two equivalent Co(2), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(4) atoms. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to two equivalent S(2) and two equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Co(1), two equivalent Co(2), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SZnCo3 trigonal pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Co(2), two equivalent Co(1), and one Zn(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), two equivalent Co(2), and one Zn(2) atom. In the fourth S site, S(4) is bonded to one Co(2), two equivalent Co(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SZnCo3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgZn2(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.268
_cell_length_b   7.259
_cell_length_c   7.261
_cell_angle_alpha   60.064
_cell_angle_beta   59.966
_cell_angle_gamma   59.960
_symmetry_Int_Tables_number   1
_cell_volume   270.848
_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  0.374  0.376  0.376  1.0
  Zn  Zn1  1  0.875  0.875  0.875  1.0
  Zn  Zn2  1  0.124  0.126  0.126  1.0
  Co  Co3  1  0.514  0.513  0.513  1.0
  Co  Co4  1  0.513  0.513  0.961  1.0
  Co  Co5  1  0.960  0.513  0.513  1.0
  Co  Co6  1  0.513  0.961  0.513  1.0
  S  S7  1  0.729  0.730  0.730  1.0
  S  S8  1  0.252  0.250  0.746  1.0
  S  S9  1  0.252  0.746  0.250  1.0
  S  S10  1  0.743  0.252  0.252  1.0
  S  S11  1  0.729  0.311  0.730  1.0
  S  S12  1  0.311  0.730  0.730  1.0
  S  S13  1  0.253  0.252  0.252  1.0
  S  S14  1  0.729  0.730  0.311  1.0
[/CIF]
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