The material described by ReIr3 crystallizes in the trigonal R-3m space group. Re(1) is bonded to six equivalent Re(1) and six equivalent Ir(1) atoms to form ReRe6Ir6 cuboctahedra that share corners with six equivalent Re(1)Re6Ir6 cuboctahedra, corners with six equivalent Ir(2)Ir12 cuboctahedra, edges with six equivalent Re(1)Re6Ir6 cuboctahedra, edges with six equivalent Ir(2)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Re3Ir9 cuboctahedra, faces with six equivalent Re(1)Re6Ir6 cuboctahedra, and faces with twelve equivalent Ir(1)Re3Ir9 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent Re(1), three equivalent Ir(2), and six equivalent Ir(1) atoms to form IrRe3Ir9 cuboctahedra that share corners with twelve equivalent Ir(1)Re3Ir9 cuboctahedra, edges with six equivalent Re(1)Re6Ir6 cuboctahedra, edges with six equivalent Ir(2)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Re3Ir9 cuboctahedra, faces with six equivalent Re(1)Re6Ir6 cuboctahedra, faces with six equivalent Ir(2)Ir12 cuboctahedra, and faces with six equivalent Ir(1)Re3Ir9 cuboctahedra. In the second Ir site, Ir(2) is bonded to six equivalent Ir(1) and six equivalent Ir(2) atoms to form IrIr12 cuboctahedra that share corners with six equivalent Re(1)Re6Ir6 cuboctahedra, corners with six equivalent Ir(2)Ir12 cuboctahedra, edges with six equivalent Re(1)Re6Ir6 cuboctahedra, edges with six equivalent Ir(2)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Re3Ir9 cuboctahedra, faces with six equivalent Ir(2)Ir12 cuboctahedra, and faces with twelve equivalent Ir(1)Re3Ir9 cuboctahedra. is represented by the CIF card [CIF]
data_ReIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.137
_cell_length_b   9.137
_cell_length_c   9.137
_cell_angle_alpha   17.270
_cell_angle_beta   17.270
_cell_angle_gamma   17.270
_symmetry_Int_Tables_number   1
_cell_volume   58.657
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Ir  Ir1  1  0.251  0.251  0.251  1.0
  Ir  Ir2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.749  0.749  0.749  1.0
[/CIF]
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The material described by ReIr3 crystallizes in the trigonal R-3m space group. Re(1) is bonded to six equivalent Re(1) and six equivalent Ir(1) atoms to form ReRe6Ir6 cuboctahedra that share corners with six equivalent Re(1)Re6Ir6 cuboctahedra, corners with six equivalent Ir(2)Ir12 cuboctahedra, edges with six equivalent Re(1)Re6Ir6 cuboctahedra, edges with six equivalent Ir(2)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Re3Ir9 cuboctahedra, faces with six equivalent Re(1)Re6Ir6 cuboctahedra, and faces with twelve equivalent Ir(1)Re3Ir9 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent Re(1), three equivalent Ir(2), and six equivalent Ir(1) atoms to form IrRe3Ir9 cuboctahedra that share corners with twelve equivalent Ir(1)Re3Ir9 cuboctahedra, edges with six equivalent Re(1)Re6Ir6 cuboctahedra, edges with six equivalent Ir(2)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Re3Ir9 cuboctahedra, faces with six equivalent Re(1)Re6Ir6 cuboctahedra, faces with six equivalent Ir(2)Ir12 cuboctahedra, and faces with six equivalent Ir(1)Re3Ir9 cuboctahedra. In the second Ir site, Ir(2) is bonded to six equivalent Ir(1) and six equivalent Ir(2) atoms to form IrIr12 cuboctahedra that share corners with six equivalent Re(1)Re6Ir6 cuboctahedra, corners with six equivalent Ir(2)Ir12 cuboctahedra, edges with six equivalent Re(1)Re6Ir6 cuboctahedra, edges with six equivalent Ir(2)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Re3Ir9 cuboctahedra, faces with six equivalent Ir(2)Ir12 cuboctahedra, and faces with twelve equivalent Ir(1)Re3Ir9 cuboctahedra. is represented by the CIF card [CIF]
data_ReIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.137
_cell_length_b   9.137
_cell_length_c   9.137
_cell_angle_alpha   17.270
_cell_angle_beta   17.270
_cell_angle_gamma   17.270
_symmetry_Int_Tables_number   1
_cell_volume   58.657
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Ir  Ir1  1  0.251  0.251  0.251  1.0
  Ir  Ir2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.749  0.749  0.749  1.0
[/CIF]
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