The material described by IrSbTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Ir(1) is bonded to three equivalent Sb(1) and three equivalent Te(1) atoms to form IrSb3Te3 octahedra that share corners with twelve equivalent Ir(1)Sb3Te3 octahedra, corners with three equivalent Sb(1)TeIr3 trigonal pyramids, and corners with three equivalent Te(1)SbIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. Sb(1) is bonded to three equivalent Ir(1) and one Te(1) atom to form distorted SbTeIr3 trigonal pyramids that share corners with three equivalent Ir(1)Sb3Te3 octahedra, corners with six equivalent Sb(1)TeIr3 trigonal pyramids, and corners with nine equivalent Te(1)SbIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. Te(1) is bonded to three equivalent Ir(1) and one Sb(1) atom to form distorted TeSbIr3 trigonal pyramids that share corners with three equivalent Ir(1)Sb3Te3 octahedra, corners with six equivalent Te(1)SbIr3 trigonal pyramids, and corners with nine equivalent Sb(1)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. is represented by the CIF card [CIF]
data_SbTeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.448
_cell_length_b   6.448
_cell_length_c   6.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.072
_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
  Sb  Sb0  1  0.873  0.373  0.127  1.0
  Sb  Sb1  1  0.373  0.127  0.873  1.0
  Sb  Sb2  1  0.127  0.873  0.373  1.0
  Sb  Sb3  1  0.627  0.627  0.627  1.0
  Te  Te4  1  0.125  0.625  0.875  1.0
  Te  Te5  1  0.625  0.875  0.125  1.0
  Te  Te6  1  0.875  0.125  0.625  1.0
  Te  Te7  1  0.375  0.375  0.375  1.0
  Ir  Ir8  1  0.498  0.998  0.502  1.0
  Ir  Ir9  1  0.998  0.502  0.498  1.0
  Ir  Ir10  1  0.502  0.498  0.998  1.0
  Ir  Ir11  1  0.002  0.002  0.002  1.0
[/CIF]
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The material described by IrSbTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Ir(1) is bonded to three equivalent Sb(1) and three equivalent Te(1) atoms to form IrSb3Te3 octahedra that share corners with twelve equivalent Ir(1)Sb3Te3 octahedra, corners with three equivalent Sb(1)TeIr3 trigonal pyramids, and corners with three equivalent Te(1)SbIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. Sb(1) is bonded to three equivalent Ir(1) and one Te(1) atom to form distorted SbTeIr3 trigonal pyramids that share corners with three equivalent Ir(1)Sb3Te3 octahedra, corners with six equivalent Sb(1)TeIr3 trigonal pyramids, and corners with nine equivalent Te(1)SbIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. Te(1) is bonded to three equivalent Ir(1) and one Sb(1) atom to form distorted TeSbIr3 trigonal pyramids that share corners with three equivalent Ir(1)Sb3Te3 octahedra, corners with six equivalent Te(1)SbIr3 trigonal pyramids, and corners with nine equivalent Sb(1)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. is represented by the CIF card [CIF]
data_SbTeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.448
_cell_length_b   6.448
_cell_length_c   6.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.072
_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
  Sb  Sb0  1  0.873  0.373  0.127  1.0
  Sb  Sb1  1  0.373  0.127  0.873  1.0
  Sb  Sb2  1  0.127  0.873  0.373  1.0
  Sb  Sb3  1  0.627  0.627  0.627  1.0
  Te  Te4  1  0.125  0.625  0.875  1.0
  Te  Te5  1  0.625  0.875  0.125  1.0
  Te  Te6  1  0.875  0.125  0.625  1.0
  Te  Te7  1  0.375  0.375  0.375  1.0
  Ir  Ir8  1  0.498  0.998  0.502  1.0
  Ir  Ir9  1  0.998  0.502  0.498  1.0
  Ir  Ir10  1  0.502  0.498  0.998  1.0
  Ir  Ir11  1  0.002  0.002  0.002  1.0
[/CIF]
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