The structure described by MgCu2(RhS2)4 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to two equivalent Cu(1) and six equivalent S(1) atoms to form distorted MgCu2S6 hexagonal bipyramids that share corners with six equivalent Rh(2)S6 octahedra, corners with six equivalent S(1)MgCuRh3 square pyramids, corners with two equivalent S(2)CuRh3 trigonal pyramids, and edges with six equivalent Rh(1)S6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form RhS6 octahedra that share edges with two equivalent Mg(1)Cu2S6 hexagonal bipyramids, edges with two equivalent Rh(2)S6 octahedra, and edges with four equivalent Rh(1)S6 octahedra. In the second Rh site, Rh(2) is bonded to six equivalent S(1) atoms to form RhS6 octahedra that share corners with six equivalent Mg(1)Cu2S6 hexagonal bipyramids and edges with six equivalent Rh(1)S6 octahedra. Cu(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(2), and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Rh(2), two equivalent Rh(1), and one Cu(1) atom to form SMgCuRh3 square pyramids that share  a cornercorner with one Mg(1)Cu2S6 hexagonal bipyramid, corners with six equivalent S(1)MgCuRh3 square pyramids, corners with three equivalent S(2)CuRh3 trigonal pyramids, edges with six equivalent S(1)MgCuRh3 square pyramids, and  an edgeedge with one S(2)CuRh3 trigonal pyramid. In the second S site, S(2) is bonded to three equivalent Rh(1) and one Cu(1) atom to form distorted SCuRh3 trigonal pyramids that share  a cornercorner with one Mg(1)Cu2S6 hexagonal bipyramid, corners with nine equivalent S(1)MgCuRh3 square pyramids, corners with three equivalent S(2)CuRh3 trigonal pyramids, and edges with three equivalent S(1)MgCuRh3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2(RhS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.200
_cell_length_b   7.009
_cell_length_c   7.009
_cell_angle_alpha   60.000
_cell_angle_beta   60.874
_cell_angle_gamma   60.874
_symmetry_Int_Tables_number   1
_cell_volume   253.373
_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  0.000  0.000  1.0
  Cu  Cu1  1  0.922  0.859  0.859  1.0
  Cu  Cu2  1  0.078  0.141  0.141  1.0
  Rh  Rh3  1  0.500  0.500  0.000  1.0
  Rh  Rh4  1  0.500  0.500  0.500  1.0
  Rh  Rh5  1  0.000  0.500  0.500  1.0
  Rh  Rh6  1  0.500  0.000  0.500  1.0
  S  S7  1  0.740  0.739  0.739  1.0
  S  S8  1  0.260  0.261  0.718  1.0
  S  S9  1  0.260  0.718  0.261  1.0
  S  S10  1  0.706  0.265  0.265  1.0
  S  S11  1  0.740  0.282  0.739  1.0
  S  S12  1  0.294  0.735  0.735  1.0
  S  S13  1  0.260  0.261  0.261  1.0
  S  S14  1  0.740  0.739  0.282  1.0
[/CIF]
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The structure described by MgCu2(RhS2)4 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to two equivalent Cu(1) and six equivalent S(1) atoms to form distorted MgCu2S6 hexagonal bipyramids that share corners with six equivalent Rh(2)S6 octahedra, corners with six equivalent S(1)MgCuRh3 square pyramids, corners with two equivalent S(2)CuRh3 trigonal pyramids, and edges with six equivalent Rh(1)S6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form RhS6 octahedra that share edges with two equivalent Mg(1)Cu2S6 hexagonal bipyramids, edges with two equivalent Rh(2)S6 octahedra, and edges with four equivalent Rh(1)S6 octahedra. In the second Rh site, Rh(2) is bonded to six equivalent S(1) atoms to form RhS6 octahedra that share corners with six equivalent Mg(1)Cu2S6 hexagonal bipyramids and edges with six equivalent Rh(1)S6 octahedra. Cu(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(2), and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Rh(2), two equivalent Rh(1), and one Cu(1) atom to form SMgCuRh3 square pyramids that share  a cornercorner with one Mg(1)Cu2S6 hexagonal bipyramid, corners with six equivalent S(1)MgCuRh3 square pyramids, corners with three equivalent S(2)CuRh3 trigonal pyramids, edges with six equivalent S(1)MgCuRh3 square pyramids, and  an edgeedge with one S(2)CuRh3 trigonal pyramid. In the second S site, S(2) is bonded to three equivalent Rh(1) and one Cu(1) atom to form distorted SCuRh3 trigonal pyramids that share  a cornercorner with one Mg(1)Cu2S6 hexagonal bipyramid, corners with nine equivalent S(1)MgCuRh3 square pyramids, corners with three equivalent S(2)CuRh3 trigonal pyramids, and edges with three equivalent S(1)MgCuRh3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2(RhS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.200
_cell_length_b   7.009
_cell_length_c   7.009
_cell_angle_alpha   60.000
_cell_angle_beta   60.874
_cell_angle_gamma   60.874
_symmetry_Int_Tables_number   1
_cell_volume   253.373
_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  0.000  0.000  1.0
  Cu  Cu1  1  0.922  0.859  0.859  1.0
  Cu  Cu2  1  0.078  0.141  0.141  1.0
  Rh  Rh3  1  0.500  0.500  0.000  1.0
  Rh  Rh4  1  0.500  0.500  0.500  1.0
  Rh  Rh5  1  0.000  0.500  0.500  1.0
  Rh  Rh6  1  0.500  0.000  0.500  1.0
  S  S7  1  0.740  0.739  0.739  1.0
  S  S8  1  0.260  0.261  0.718  1.0
  S  S9  1  0.260  0.718  0.261  1.0
  S  S10  1  0.706  0.265  0.265  1.0
  S  S11  1  0.740  0.282  0.739  1.0
  S  S12  1  0.294  0.735  0.735  1.0
  S  S13  1  0.260  0.261  0.261  1.0
  S  S14  1  0.740  0.739  0.282  1.0
[/CIF]
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