The material described by Cs2LiIr(CN)6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded in a 24-coordinate geometry to twelve equivalent C(1) and twelve equivalent N(1) atoms. Li(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent C(1) atoms. C(1) is bonded in a linear geometry to four equivalent Cs(1), one Ir(1), and one N(1) atom. N(1) is bonded in a linear geometry to four equivalent Cs(1), one Li(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Cs2LiIr(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.679
_cell_length_b   7.679
_cell_length_c   7.679
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   320.177
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.814  0.186  0.186  1.0
  C  C5  1  0.814  0.186  0.814  1.0
  C  C6  1  0.814  0.814  0.186  1.0
  C  C7  1  0.186  0.814  0.814  1.0
  C  C8  1  0.186  0.186  0.814  1.0
  C  C9  1  0.186  0.814  0.186  1.0
  N  N10  1  0.294  0.706  0.706  1.0
  N  N11  1  0.294  0.294  0.706  1.0
  N  N12  1  0.706  0.706  0.294  1.0
  N  N13  1  0.706  0.294  0.706  1.0
  N  N14  1  0.706  0.294  0.294  1.0
  N  N15  1  0.294  0.706  0.294  1.0
[/CIF]
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The material described by Cs2LiIr(CN)6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded in a 24-coordinate geometry to twelve equivalent C(1) and twelve equivalent N(1) atoms. Li(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent C(1) atoms. C(1) is bonded in a linear geometry to four equivalent Cs(1), one Ir(1), and one N(1) atom. N(1) is bonded in a linear geometry to four equivalent Cs(1), one Li(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Cs2LiIr(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.679
_cell_length_b   7.679
_cell_length_c   7.679
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   320.177
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.814  0.186  0.186  1.0
  C  C5  1  0.814  0.186  0.814  1.0
  C  C6  1  0.814  0.814  0.186  1.0
  C  C7  1  0.186  0.814  0.814  1.0
  C  C8  1  0.186  0.186  0.814  1.0
  C  C9  1  0.186  0.814  0.186  1.0
  N  N10  1  0.294  0.706  0.706  1.0
  N  N11  1  0.294  0.294  0.706  1.0
  N  N12  1  0.706  0.706  0.294  1.0
  N  N13  1  0.706  0.294  0.706  1.0
  N  N14  1  0.706  0.294  0.294  1.0
  N  N15  1  0.294  0.706  0.294  1.0
[/CIF]
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