The material structure described by Ba3Ir(CN)3 is Indium-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two Ba3Ir(CN)3 clusters. Ba(1) is bonded in a 1-coordinate geometry to one N(1) atom. Ir(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded in a 1-coordinate geometry to one Ir(1) and one N(1) atom. N(1) is bonded in a distorted single-bond geometry to one Ba(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Ir(CN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.325
_cell_length_b   9.325
_cell_length_c   5.850
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   440.536
_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
  Ba  Ba0  1  0.306  0.928  0.250  1.0
  Ba  Ba1  1  0.622  0.694  0.250  1.0
  Ba  Ba2  1  0.072  0.378  0.250  1.0
  Ba  Ba3  1  0.694  0.072  0.750  1.0
  Ba  Ba4  1  0.378  0.306  0.750  1.0
  Ba  Ba5  1  0.928  0.622  0.750  1.0
  Ir  Ir6  1  0.667  0.333  0.250  1.0
  Ir  Ir7  1  0.333  0.667  0.750  1.0
  C  C8  1  0.446  0.299  0.250  1.0
  C  C9  1  0.852  0.554  0.250  1.0
  C  C10  1  0.701  0.148  0.250  1.0
  C  C11  1  0.554  0.701  0.750  1.0
  C  C12  1  0.148  0.446  0.750  1.0
  C  C13  1  0.299  0.852  0.750  1.0
  N  N14  1  0.302  0.273  0.250  1.0
  N  N15  1  0.970  0.698  0.250  1.0
  N  N16  1  0.727  0.030  0.250  1.0
  N  N17  1  0.698  0.727  0.750  1.0
  N  N18  1  0.030  0.302  0.750  1.0
  N  N19  1  0.273  0.970  0.750  1.0
[/CIF]
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The material structure described by Ba3Ir(CN)3 is Indium-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two Ba3Ir(CN)3 clusters. Ba(1) is bonded in a 1-coordinate geometry to one N(1) atom. Ir(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded in a 1-coordinate geometry to one Ir(1) and one N(1) atom. N(1) is bonded in a distorted single-bond geometry to one Ba(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Ir(CN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.325
_cell_length_b   9.325
_cell_length_c   5.850
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   440.536
_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
  Ba  Ba0  1  0.306  0.928  0.250  1.0
  Ba  Ba1  1  0.622  0.694  0.250  1.0
  Ba  Ba2  1  0.072  0.378  0.250  1.0
  Ba  Ba3  1  0.694  0.072  0.750  1.0
  Ba  Ba4  1  0.378  0.306  0.750  1.0
  Ba  Ba5  1  0.928  0.622  0.750  1.0
  Ir  Ir6  1  0.667  0.333  0.250  1.0
  Ir  Ir7  1  0.333  0.667  0.750  1.0
  C  C8  1  0.446  0.299  0.250  1.0
  C  C9  1  0.852  0.554  0.250  1.0
  C  C10  1  0.701  0.148  0.250  1.0
  C  C11  1  0.554  0.701  0.750  1.0
  C  C12  1  0.148  0.446  0.750  1.0
  C  C13  1  0.299  0.852  0.750  1.0
  N  N14  1  0.302  0.273  0.250  1.0
  N  N15  1  0.970  0.698  0.250  1.0
  N  N16  1  0.727  0.030  0.250  1.0
  N  N17  1  0.698  0.727  0.750  1.0
  N  N18  1  0.030  0.302  0.750  1.0
  N  N19  1  0.273  0.970  0.750  1.0
[/CIF]
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