The material described by ReIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to twelve equivalent Ir(1) atoms to form ReIr12 cuboctahedra that share corners with six equivalent Re(1)Ir12 cuboctahedra, corners with twelve equivalent Ir(1)Re4Ir8 cuboctahedra, edges with eighteen equivalent Ir(1)Re4Ir8 cuboctahedra, faces with eight equivalent Re(1)Ir12 cuboctahedra, and faces with twelve equivalent Ir(1)Re4Ir8 cuboctahedra. Ir(1) is bonded to four equivalent Re(1) and eight equivalent Ir(1) atoms to form distorted IrRe4Ir8 cuboctahedra that share corners with four equivalent Re(1)Ir12 cuboctahedra, corners with fourteen equivalent Ir(1)Re4Ir8 cuboctahedra, edges with six equivalent Re(1)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Re4Ir8 cuboctahedra, faces with four equivalent Re(1)Ir12 cuboctahedra, and faces with sixteen equivalent Ir(1)Re4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_ReIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   5.503
_cell_length_c   4.378
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   114.801
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  Re  Re1  1  0.667  0.333  0.250  1.0
  Ir  Ir2  1  0.167  0.334  0.250  1.0
  Ir  Ir3  1  0.666  0.833  0.250  1.0
  Ir  Ir4  1  0.167  0.833  0.250  1.0
  Ir  Ir5  1  0.833  0.666  0.750  1.0
  Ir  Ir6  1  0.334  0.167  0.750  1.0
  Ir  Ir7  1  0.833  0.167  0.750  1.0
[/CIF]
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The material described by ReIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to twelve equivalent Ir(1) atoms to form ReIr12 cuboctahedra that share corners with six equivalent Re(1)Ir12 cuboctahedra, corners with twelve equivalent Ir(1)Re4Ir8 cuboctahedra, edges with eighteen equivalent Ir(1)Re4Ir8 cuboctahedra, faces with eight equivalent Re(1)Ir12 cuboctahedra, and faces with twelve equivalent Ir(1)Re4Ir8 cuboctahedra. Ir(1) is bonded to four equivalent Re(1) and eight equivalent Ir(1) atoms to form distorted IrRe4Ir8 cuboctahedra that share corners with four equivalent Re(1)Ir12 cuboctahedra, corners with fourteen equivalent Ir(1)Re4Ir8 cuboctahedra, edges with six equivalent Re(1)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Re4Ir8 cuboctahedra, faces with four equivalent Re(1)Ir12 cuboctahedra, and faces with sixteen equivalent Ir(1)Re4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_ReIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   5.503
_cell_length_c   4.378
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   114.801
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  Re  Re1  1  0.667  0.333  0.250  1.0
  Ir  Ir2  1  0.167  0.334  0.250  1.0
  Ir  Ir3  1  0.666  0.833  0.250  1.0
  Ir  Ir4  1  0.167  0.833  0.250  1.0
  Ir  Ir5  1  0.833  0.666  0.750  1.0
  Ir  Ir6  1  0.334  0.167  0.750  1.0
  Ir  Ir7  1  0.833  0.167  0.750  1.0
[/CIF]
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