The material described by IrBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Ir(1) is bonded to three equivalent Bi(1) and three equivalent Te(1) atoms to form IrBi3Te3 octahedra that share corners with twelve equivalent Ir(1)Bi3Te3 octahedra, corners with three equivalent Bi(1)TeIr3 trigonal pyramids, and corners with three equivalent Te(1)BiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-63°. Bi(1) is bonded to three equivalent Ir(1) and one Te(1) atom to form distorted BiTeIr3 trigonal pyramids that share corners with three equivalent Ir(1)Bi3Te3 octahedra, corners with six equivalent Bi(1)TeIr3 trigonal pyramids, and corners with nine equivalent Te(1)BiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. Te(1) is bonded to three equivalent Ir(1) and one Bi(1) atom to form distorted TeBiIr3 trigonal pyramids that share corners with three equivalent Ir(1)Bi3Te3 octahedra, corners with six equivalent Te(1)BiIr3 trigonal pyramids, and corners with nine equivalent Bi(1)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiTeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.566
_cell_length_b   6.566
_cell_length_c   6.566
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.098
_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
  Bi  Bi0  1  0.131  0.869  0.369  1.0
  Bi  Bi1  1  0.869  0.369  0.131  1.0
  Bi  Bi2  1  0.369  0.131  0.869  1.0
  Bi  Bi3  1  0.631  0.631  0.631  1.0
  Te  Te4  1  0.875  0.125  0.625  1.0
  Te  Te5  1  0.125  0.625  0.875  1.0
  Te  Te6  1  0.625  0.875  0.125  1.0
  Te  Te7  1  0.375  0.375  0.375  1.0
  Ir  Ir8  1  0.493  0.507  0.007  1.0
  Ir  Ir9  1  0.507  0.007  0.493  1.0
  Ir  Ir10  1  0.007  0.493  0.507  1.0
  Ir  Ir11  1  0.993  0.993  0.993  1.0
[/CIF]
.
The material described by IrBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Ir(1) is bonded to three equivalent Bi(1) and three equivalent Te(1) atoms to form IrBi3Te3 octahedra that share corners with twelve equivalent Ir(1)Bi3Te3 octahedra, corners with three equivalent Bi(1)TeIr3 trigonal pyramids, and corners with three equivalent Te(1)BiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-63°. Bi(1) is bonded to three equivalent Ir(1) and one Te(1) atom to form distorted BiTeIr3 trigonal pyramids that share corners with three equivalent Ir(1)Bi3Te3 octahedra, corners with six equivalent Bi(1)TeIr3 trigonal pyramids, and corners with nine equivalent Te(1)BiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. Te(1) is bonded to three equivalent Ir(1) and one Bi(1) atom to form distorted TeBiIr3 trigonal pyramids that share corners with three equivalent Ir(1)Bi3Te3 octahedra, corners with six equivalent Te(1)BiIr3 trigonal pyramids, and corners with nine equivalent Bi(1)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiTeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.566
_cell_length_b   6.566
_cell_length_c   6.566
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.098
_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
  Bi  Bi0  1  0.131  0.869  0.369  1.0
  Bi  Bi1  1  0.869  0.369  0.131  1.0
  Bi  Bi2  1  0.369  0.131  0.869  1.0
  Bi  Bi3  1  0.631  0.631  0.631  1.0
  Te  Te4  1  0.875  0.125  0.625  1.0
  Te  Te5  1  0.125  0.625  0.875  1.0
  Te  Te6  1  0.625  0.875  0.125  1.0
  Te  Te7  1  0.375  0.375  0.375  1.0
  Ir  Ir8  1  0.493  0.507  0.007  1.0
  Ir  Ir9  1  0.507  0.007  0.493  1.0
  Ir  Ir10  1  0.007  0.493  0.507  1.0
  Ir  Ir11  1  0.993  0.993  0.993  1.0
[/CIF]
.