The crystal structure described by Ir4C5 crystallizes in the tetragonal P-4c2 space group. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to four equivalent C(2) and four equivalent C(3) atoms. In the second Ir site, Ir(2) is bonded to two equivalent C(1) and four equivalent C(3) atoms to form a mixture of corner and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Ir site, Ir(3) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms to form a mixture of distorted face, corner, and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth Ir site, Ir(4) is bonded to two equivalent C(3) and four equivalent C(2) atoms to form a mixture of distorted corner and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fifth Ir site, Ir(5) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms to form a mixture of distorted face, corner, and edge-sharing IrC6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 36-57°. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted pentagonal planar geometry to one Ir(2), two equivalent Ir(3), and two equivalent Ir(5) atoms. In the second C site, C(2) is bonded in a distorted pentagonal planar geometry to one Ir(1), one Ir(3), one Ir(5), and two equivalent Ir(4) atoms. In the third C site, C(3) is bonded in a 5-coordinate geometry to one Ir(1), one Ir(2), one Ir(3), one Ir(4), and one Ir(5) atom. is represented by the CIF file [CIF]
data_Ir4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.042
_cell_length_b   5.042
_cell_length_c   15.072
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.207
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Ir  Ir1  1  0.000  0.000  0.000  1.0
  Ir  Ir2  1  0.000  0.000  0.250  1.0
  Ir  Ir3  1  0.000  0.000  0.750  1.0
  Ir  Ir4  1  0.500  0.500  0.365  1.0
  Ir  Ir5  1  0.500  0.500  0.865  1.0
  Ir  Ir6  1  0.500  0.500  0.635  1.0
  Ir  Ir7  1  0.500  0.500  0.135  1.0
  Ir  Ir8  1  0.500  0.000  0.440  1.0
  Ir  Ir9  1  0.500  0.000  0.940  1.0
  Ir  Ir10  1  0.000  0.500  0.560  1.0
  Ir  Ir11  1  0.000  0.500  0.060  1.0
  Ir  Ir12  1  0.500  0.000  0.174  1.0
  Ir  Ir13  1  0.500  0.000  0.674  1.0
  Ir  Ir14  1  0.000  0.500  0.826  1.0
  Ir  Ir15  1  0.000  0.500  0.326  1.0
  C  C16  1  0.322  0.322  0.250  1.0
  C  C17  1  0.678  0.678  0.250  1.0
  C  C18  1  0.322  0.678  0.750  1.0
  C  C19  1  0.678  0.322  0.750  1.0
  C  C20  1  0.190  0.334  0.446  1.0
  C  C21  1  0.810  0.666  0.446  1.0
  C  C22  1  0.190  0.666  0.946  1.0
  C  C23  1  0.810  0.334  0.946  1.0
  C  C24  1  0.334  0.810  0.554  1.0
  C  C25  1  0.666  0.190  0.554  1.0
  C  C26  1  0.666  0.810  0.054  1.0
  C  C27  1  0.334  0.190  0.054  1.0
  C  C28  1  0.230  0.840  0.353  1.0
  C  C29  1  0.770  0.160  0.353  1.0
  C  C30  1  0.230  0.160  0.853  1.0
  C  C31  1  0.770  0.840  0.853  1.0
  C  C32  1  0.840  0.770  0.647  1.0
  C  C33  1  0.160  0.230  0.647  1.0
  C  C34  1  0.160  0.770  0.147  1.0
  C  C35  1  0.840  0.230  0.147  1.0
[/CIF]
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The crystal structure described by Ir4C5 crystallizes in the tetragonal P-4c2 space group. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to four equivalent C(2) and four equivalent C(3) atoms. In the second Ir site, Ir(2) is bonded to two equivalent C(1) and four equivalent C(3) atoms to form a mixture of corner and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Ir site, Ir(3) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms to form a mixture of distorted face, corner, and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth Ir site, Ir(4) is bonded to two equivalent C(3) and four equivalent C(2) atoms to form a mixture of distorted corner and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fifth Ir site, Ir(5) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms to form a mixture of distorted face, corner, and edge-sharing IrC6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 36-57°. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted pentagonal planar geometry to one Ir(2), two equivalent Ir(3), and two equivalent Ir(5) atoms. In the second C site, C(2) is bonded in a distorted pentagonal planar geometry to one Ir(1), one Ir(3), one Ir(5), and two equivalent Ir(4) atoms. In the third C site, C(3) is bonded in a 5-coordinate geometry to one Ir(1), one Ir(2), one Ir(3), one Ir(4), and one Ir(5) atom. is represented by the CIF file [CIF]
data_Ir4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.042
_cell_length_b   5.042
_cell_length_c   15.072
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.207
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Ir  Ir1  1  0.000  0.000  0.000  1.0
  Ir  Ir2  1  0.000  0.000  0.250  1.0
  Ir  Ir3  1  0.000  0.000  0.750  1.0
  Ir  Ir4  1  0.500  0.500  0.365  1.0
  Ir  Ir5  1  0.500  0.500  0.865  1.0
  Ir  Ir6  1  0.500  0.500  0.635  1.0
  Ir  Ir7  1  0.500  0.500  0.135  1.0
  Ir  Ir8  1  0.500  0.000  0.440  1.0
  Ir  Ir9  1  0.500  0.000  0.940  1.0
  Ir  Ir10  1  0.000  0.500  0.560  1.0
  Ir  Ir11  1  0.000  0.500  0.060  1.0
  Ir  Ir12  1  0.500  0.000  0.174  1.0
  Ir  Ir13  1  0.500  0.000  0.674  1.0
  Ir  Ir14  1  0.000  0.500  0.826  1.0
  Ir  Ir15  1  0.000  0.500  0.326  1.0
  C  C16  1  0.322  0.322  0.250  1.0
  C  C17  1  0.678  0.678  0.250  1.0
  C  C18  1  0.322  0.678  0.750  1.0
  C  C19  1  0.678  0.322  0.750  1.0
  C  C20  1  0.190  0.334  0.446  1.0
  C  C21  1  0.810  0.666  0.446  1.0
  C  C22  1  0.190  0.666  0.946  1.0
  C  C23  1  0.810  0.334  0.946  1.0
  C  C24  1  0.334  0.810  0.554  1.0
  C  C25  1  0.666  0.190  0.554  1.0
  C  C26  1  0.666  0.810  0.054  1.0
  C  C27  1  0.334  0.190  0.054  1.0
  C  C28  1  0.230  0.840  0.353  1.0
  C  C29  1  0.770  0.160  0.353  1.0
  C  C30  1  0.230  0.160  0.853  1.0
  C  C31  1  0.770  0.840  0.853  1.0
  C  C32  1  0.840  0.770  0.647  1.0
  C  C33  1  0.160  0.230  0.647  1.0
  C  C34  1  0.160  0.770  0.147  1.0
  C  C35  1  0.840  0.230  0.147  1.0
[/CIF]
.