The material structure described by MgCu2(IrS2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent S(2) atoms. Ir(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent S(1), and three equivalent S(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to four equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ir(1) and one Cu(2) atom. In the second S site, S(2) is bonded in a distorted linear geometry to one Mg(1), three equivalent Ir(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2(IrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.344
_cell_length_b   7.344
_cell_length_c   7.348
_cell_angle_alpha   119.983
_cell_angle_beta   119.983
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.427
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Ir  Ir3  1  0.901  0.634  0.267  1.0
  Ir  Ir4  1  0.366  0.634  0.267  1.0
  Ir  Ir5  1  0.366  0.634  0.733  1.0
  Ir  Ir6  1  0.366  0.099  0.733  1.0
  S  S7  1  0.140  0.859  0.718  1.0
  S  S8  1  0.578  0.859  0.718  1.0
  S  S9  1  0.128  0.376  0.752  1.0
  S  S10  1  0.625  0.376  0.752  1.0
  S  S11  1  0.141  0.422  0.282  1.0
  S  S12  1  0.141  0.860  0.282  1.0
  S  S13  1  0.624  0.375  0.248  1.0
  S  S14  1  0.624  0.872  0.248  1.0
[/CIF]
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The material structure described by MgCu2(IrS2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent S(2) atoms. Ir(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent S(1), and three equivalent S(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to four equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ir(1) and one Cu(2) atom. In the second S site, S(2) is bonded in a distorted linear geometry to one Mg(1), three equivalent Ir(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2(IrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.344
_cell_length_b   7.344
_cell_length_c   7.348
_cell_angle_alpha   119.983
_cell_angle_beta   119.983
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.427
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Ir  Ir3  1  0.901  0.634  0.267  1.0
  Ir  Ir4  1  0.366  0.634  0.267  1.0
  Ir  Ir5  1  0.366  0.634  0.733  1.0
  Ir  Ir6  1  0.366  0.099  0.733  1.0
  S  S7  1  0.140  0.859  0.718  1.0
  S  S8  1  0.578  0.859  0.718  1.0
  S  S9  1  0.128  0.376  0.752  1.0
  S  S10  1  0.625  0.376  0.752  1.0
  S  S11  1  0.141  0.422  0.282  1.0
  S  S12  1  0.141  0.860  0.282  1.0
  S  S13  1  0.624  0.375  0.248  1.0
  S  S14  1  0.624  0.872  0.248  1.0
[/CIF]
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