The crystal structure described by IrCo3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. Ir(1) is bonded to six equivalent Ir(1) and six equivalent Co(2) atoms to form IrCo6Ir6 cuboctahedra that share corners with six equivalent Ir(1)Co6Ir6 cuboctahedra, corners with twelve equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Ir(1)Co6Ir6 cuboctahedra, edges with twelve equivalent Co(2)Co9Ir3 cuboctahedra, faces with two equivalent Co(1)Co12 cuboctahedra, faces with six equivalent Ir(1)Co6Ir6 cuboctahedra, and faces with twelve equivalent Co(2)Co9Ir3 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Co(1) and six equivalent Co(2) atoms to form CoCo12 cuboctahedra that share corners with six equivalent Co(1)Co12 cuboctahedra, corners with twelve equivalent Ir(1)Co6Ir6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with twelve equivalent Co(2)Co9Ir3 cuboctahedra, faces with two equivalent Ir(1)Co6Ir6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with twelve equivalent Co(2)Co9Ir3 cuboctahedra. In the second Co site, Co(2) is bonded to three equivalent Ir(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted CoCo9Ir3 cuboctahedra that share corners with eighteen equivalent Co(2)Co9Ir3 cuboctahedra, edges with six equivalent Ir(1)Co6Ir6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Co(2)Co9Ir3 cuboctahedra, faces with six equivalent Ir(1)Co6Ir6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with eight equivalent Co(2)Co9Ir3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.609
_cell_length_b   2.609
_cell_length_c   8.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   47.899
_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
  Co  Co0  1  0.333  0.667  0.000  1.0
  Co  Co1  1  0.000  0.000  0.762  1.0
  Co  Co2  1  0.000  0.000  0.238  1.0
  Ir  Ir3  1  0.333  0.667  0.500  1.0
[/CIF]
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The crystal structure described by IrCo3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. Ir(1) is bonded to six equivalent Ir(1) and six equivalent Co(2) atoms to form IrCo6Ir6 cuboctahedra that share corners with six equivalent Ir(1)Co6Ir6 cuboctahedra, corners with twelve equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Ir(1)Co6Ir6 cuboctahedra, edges with twelve equivalent Co(2)Co9Ir3 cuboctahedra, faces with two equivalent Co(1)Co12 cuboctahedra, faces with six equivalent Ir(1)Co6Ir6 cuboctahedra, and faces with twelve equivalent Co(2)Co9Ir3 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Co(1) and six equivalent Co(2) atoms to form CoCo12 cuboctahedra that share corners with six equivalent Co(1)Co12 cuboctahedra, corners with twelve equivalent Ir(1)Co6Ir6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with twelve equivalent Co(2)Co9Ir3 cuboctahedra, faces with two equivalent Ir(1)Co6Ir6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with twelve equivalent Co(2)Co9Ir3 cuboctahedra. In the second Co site, Co(2) is bonded to three equivalent Ir(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted CoCo9Ir3 cuboctahedra that share corners with eighteen equivalent Co(2)Co9Ir3 cuboctahedra, edges with six equivalent Ir(1)Co6Ir6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Co(2)Co9Ir3 cuboctahedra, faces with six equivalent Ir(1)Co6Ir6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with eight equivalent Co(2)Co9Ir3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.609
_cell_length_b   2.609
_cell_length_c   8.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   47.899
_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
  Co  Co0  1  0.333  0.667  0.000  1.0
  Co  Co1  1  0.000  0.000  0.762  1.0
  Co  Co2  1  0.000  0.000  0.238  1.0
  Ir  Ir3  1  0.333  0.667  0.500  1.0
[/CIF]
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