The compound described by IrC4 crystallizes in the trigonal P3_121 space group. Ir(1) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), and four equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(3) is bonded to two equivalent Ir(1), one C(1), and one C(2) atom to form a mixture of corner and edge-sharing CIr2C2 tetrahedra. In the second C site, C(1) is bonded to two equivalent Ir(1) and two equivalent C(3) atoms to form a mixture of distorted corner and edge-sharing CIr2C2 tetrahedra. In the third C site, C(2) is bonded to two equivalent Ir(1) and two equivalent C(3) atoms to form a mixture of corner and edge-sharing CIr2C2 tetrahedra. is represented by the CIF card [CIF]
data_IrC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.891
_cell_length_b   4.891
_cell_length_c   5.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   122.388
_cell_formula_units_Z   3
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
  Ir  Ir0  1  0.320  0.000  0.833  1.0
  Ir  Ir1  1  0.680  0.680  0.500  1.0
  Ir  Ir2  1  0.000  0.320  0.167  1.0
  C  C3  1  0.153  0.000  0.333  1.0
  C  C4  1  0.847  0.847  0.000  1.0
  C  C5  1  0.000  0.153  0.667  1.0
  C  C6  1  0.579  0.000  0.333  1.0
  C  C7  1  0.421  0.421  0.000  1.0
  C  C8  1  0.000  0.579  0.667  1.0
  C  C9  1  0.285  0.843  0.188  1.0
  C  C10  1  0.557  0.715  0.855  1.0
  C  C11  1  0.157  0.443  0.522  1.0
  C  C12  1  0.715  0.557  0.145  1.0
  C  C13  1  0.843  0.285  0.812  1.0
  C  C14  1  0.443  0.157  0.478  1.0
[/CIF]
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The compound described by IrC4 crystallizes in the trigonal P3_121 space group. Ir(1) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), and four equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(3) is bonded to two equivalent Ir(1), one C(1), and one C(2) atom to form a mixture of corner and edge-sharing CIr2C2 tetrahedra. In the second C site, C(1) is bonded to two equivalent Ir(1) and two equivalent C(3) atoms to form a mixture of distorted corner and edge-sharing CIr2C2 tetrahedra. In the third C site, C(2) is bonded to two equivalent Ir(1) and two equivalent C(3) atoms to form a mixture of corner and edge-sharing CIr2C2 tetrahedra. is represented by the CIF card [CIF]
data_IrC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.891
_cell_length_b   4.891
_cell_length_c   5.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   122.388
_cell_formula_units_Z   3
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
  Ir  Ir0  1  0.320  0.000  0.833  1.0
  Ir  Ir1  1  0.680  0.680  0.500  1.0
  Ir  Ir2  1  0.000  0.320  0.167  1.0
  C  C3  1  0.153  0.000  0.333  1.0
  C  C4  1  0.847  0.847  0.000  1.0
  C  C5  1  0.000  0.153  0.667  1.0
  C  C6  1  0.579  0.000  0.333  1.0
  C  C7  1  0.421  0.421  0.000  1.0
  C  C8  1  0.000  0.579  0.667  1.0
  C  C9  1  0.285  0.843  0.188  1.0
  C  C10  1  0.557  0.715  0.855  1.0
  C  C11  1  0.157  0.443  0.522  1.0
  C  C12  1  0.715  0.557  0.145  1.0
  C  C13  1  0.843  0.285  0.812  1.0
  C  C14  1  0.443  0.157  0.478  1.0
[/CIF]
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