The compound described by Ir5C3 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted q6 geometry to two equivalent Ir(1), four equivalent Ir(2), and four equivalent Ir(3) atoms. In the second Ir site, Ir(2) is bonded in a distorted trigonal planar geometry to two equivalent Ir(1), one C(1), and two equivalent C(2) atoms. In the third Ir site, Ir(3) is bonded in a distorted trigonal planar geometry to two equivalent Ir(1), one C(1), and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a square co-planar geometry to two equivalent Ir(2) and two equivalent Ir(3) atoms. In the second C site, C(2) is bonded in a square co-planar geometry to two equivalent Ir(2) and two equivalent Ir(3) atoms. is represented by the CIF file [CIF]
data_Ir5C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.995
_cell_length_b   6.326
_cell_length_c   6.326
_cell_angle_alpha   113.657
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.799
_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
  C  C0  1  0.500  0.500  0.500  1.0
  C  C1  1  1.000  0.000  0.500  1.0
  C  C2  1  0.000  0.500  0.000  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  Ir  Ir4  1  0.500  0.848  0.600  1.0
  Ir  Ir5  1  0.500  0.152  0.400  1.0
  Ir  Ir6  1  0.500  0.600  0.848  1.0
  Ir  Ir7  1  0.500  0.400  0.152  1.0
[/CIF]
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The compound described by Ir5C3 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted q6 geometry to two equivalent Ir(1), four equivalent Ir(2), and four equivalent Ir(3) atoms. In the second Ir site, Ir(2) is bonded in a distorted trigonal planar geometry to two equivalent Ir(1), one C(1), and two equivalent C(2) atoms. In the third Ir site, Ir(3) is bonded in a distorted trigonal planar geometry to two equivalent Ir(1), one C(1), and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a square co-planar geometry to two equivalent Ir(2) and two equivalent Ir(3) atoms. In the second C site, C(2) is bonded in a square co-planar geometry to two equivalent Ir(2) and two equivalent Ir(3) atoms. is represented by the CIF file [CIF]
data_Ir5C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.995
_cell_length_b   6.326
_cell_length_c   6.326
_cell_angle_alpha   113.657
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.799
_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
  C  C0  1  0.500  0.500  0.500  1.0
  C  C1  1  1.000  0.000  0.500  1.0
  C  C2  1  0.000  0.500  0.000  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  Ir  Ir4  1  0.500  0.848  0.600  1.0
  Ir  Ir5  1  0.500  0.152  0.400  1.0
  Ir  Ir6  1  0.500  0.600  0.848  1.0
  Ir  Ir7  1  0.500  0.400  0.152  1.0
[/CIF]
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