The material described by Ir3Te8 crystallizes in the triclinic P-1 space group. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Te(1), one Te(10), one Te(12), one Te(4), one Te(8), and one Te(9) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(5)Te6 octahedra, corners with three equivalent Ir(6)Te6 octahedra, and  a cornercorner with one Te(12)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. In the second Ir site, Ir(2) is bonded to two equivalent Te(3), two equivalent Te(4), and two equivalent Te(7) atoms to form IrTe6 octahedra that share corners with two equivalent Ir(1)Te6 octahedra, corners with two equivalent Ir(3)Te6 octahedra, corners with two equivalent Ir(4)Te6 octahedra, corners with two equivalent Ir(6)Te6 octahedra, and corners with two equivalent Te(6)TeIr3 tetrahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the third Ir site, Ir(3) is bonded to two equivalent Te(3), two equivalent Te(5), and two equivalent Te(8) atoms to form IrTe6 octahedra that share corners with two equivalent Ir(1)Te6 octahedra, corners with two equivalent Ir(2)Te6 octahedra, corners with two equivalent Ir(4)Te6 octahedra, corners with two equivalent Ir(5)Te6 octahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, and corners with two equivalent Te(4)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-64°. In the fourth Ir site, Ir(4) is bonded to two equivalent Te(6), two equivalent Te(7), and two equivalent Te(8) atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the fifth Ir site, Ir(5) is bonded to one Te(1), one Te(11), one Te(12), one Te(5), one Te(6), and one Te(9) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(1)Te6 octahedra, corners with three equivalent Ir(6)Te6 octahedra,  a cornercorner with one Te(12)TeIr3 trigonal pyramid, and  a cornercorner with one Te(4)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. In the sixth Ir site, Ir(6) is bonded to one Te(10), one Te(11), one Te(12), one Te(2), one Te(4), and one Te(6) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(1)Te6 octahedra, corners with three equivalent Ir(5)Te6 octahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra, and  a cornercorner with one Te(12)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one Ir(5), and one Te(7) atom. In the second Te site, Te(2) is bonded in a distorted water-like geometry to one Ir(6) and one Te(8) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Ir(2), one Ir(3), and one Te(6) atom. In the fourth Te site, Te(4) is bonded to one Ir(1), one Ir(2), one Ir(6), and one Te(5) atom to form distorted TeTeIr3 trigonal pyramids that share  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(5)Te6 octahedra,  a cornercorner with one Te(6)TeIr3 tetrahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(4)TeIr3 trigonal pyramid, and corners with two equivalent Te(12)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 81-83°. In the fifth Te site, Te(5) is bonded in a 3-coordinate geometry to one Ir(3), one Ir(5), and one Te(4) atom. In the sixth Te site, Te(6) is bonded to one Ir(4), one Ir(5), one Ir(6), and one Te(3) atom to form distorted TeTeIr3 tetrahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Te(6)TeIr3 tetrahedra, corners with two equivalent Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(4)TeIr3 trigonal pyramid, and corners with two equivalent Te(12)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 83°. In the seventh Te site, Te(7) is bonded in a 3-coordinate geometry to one Ir(2), one Ir(4), and one Te(1) atom. In the eighth Te site, Te(8) is bonded to one Ir(1), one Ir(3), one Ir(4), and one Te(2) atom to form distorted TeTeIr3 tetrahedra that share  a cornercorner with one Ir(6)Te6 octahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, corners with two equivalent Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(12)TeIr3 trigonal pyramid, and  a cornercorner with one Te(4)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles are 80°. In the ninth Te site, Te(9) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(5), and one Te(9) atom. In the tenth Te site, Te(10) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(6), and one Te(10) atom. In the eleventh Te site, Te(11) is bonded in a 3-coordinate geometry to one Ir(5), one Ir(6), and one Te(11) atom. In the twelfth Te site, Te(12) is bonded to one Ir(1), one Ir(5), one Ir(6), and one Te(12) atom to form distorted TeTeIr3 trigonal pyramids that share  a cornercorner with one Ir(1)Te6 octahedra,  a cornercorner with one Ir(5)Te6 octahedra,  a cornercorner with one Ir(6)Te6 octahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, and corners with two equivalent Te(4)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 81-82°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te8Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.490
_cell_length_b   9.175
_cell_length_c   9.126
_cell_angle_alpha   60.227
_cell_angle_beta   45.404
_cell_angle_gamma   44.888
_symmetry_Int_Tables_number   1
_cell_volume   820.118
_cell_formula_units_Z   3
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
  Te  Te0  1  0.039  0.126  0.626  1.0
  Te  Te1  1  0.128  0.359  0.117  1.0
  Te  Te2  1  0.213  0.365  0.360  1.0
  Te  Te3  1  0.125  0.124  0.872  1.0
  Te  Te4  1  0.208  0.871  0.140  1.0
  Te  Te5  1  0.126  0.622  0.622  1.0
  Te  Te6  1  0.373  0.130  0.631  1.0
  Te  Te7  1  0.459  0.383  0.121  1.0
  Te  Te8  1  0.207  0.617  0.879  1.0
  Te  Te9  1  0.294  0.870  0.369  1.0
  Te  Te10  1  0.541  0.378  0.378  1.0
  Te  Te11  1  0.459  0.129  0.860  1.0
  Te  Te12  1  0.542  0.876  0.128  1.0
  Te  Te13  1  0.454  0.635  0.640  1.0
  Te  Te14  1  0.706  0.127  0.626  1.0
  Te  Te15  1  0.794  0.369  0.128  1.0
  Te  Te16  1  0.539  0.641  0.883  1.0
  Te  Te17  1  0.627  0.874  0.374  1.0
  Te  Te18  1  0.877  0.374  0.368  1.0
  Te  Te19  1  0.789  0.132  0.872  1.0
  Te  Te20  1  0.878  0.868  0.128  1.0
  Te  Te21  1  0.790  0.626  0.632  1.0
  Te  Te22  1  0.873  0.631  0.872  1.0
  Te  Te23  1  0.961  0.873  0.374  1.0
  Ir  Ir24  1  0.001  1.000  0.996  1.0
  Ir  Ir25  1  0.333  0.000  0.500  1.0
  Ir  Ir26  1  0.333  0.500  0.000  1.0
  Ir  Ir27  1  0.666  0.000  0.004  1.0
  Ir  Ir28  1  0.333  0.500  0.500  1.0
  Ir  Ir29  1  0.667  0.000  0.498  1.0
  Ir  Ir30  1  0.667  0.500  0.003  1.0
  Ir  Ir31  1  0.999  1.000  0.502  1.0
  Ir  Ir32  1  0.999  0.500  0.997  1.0
[/CIF]
.
The material described by Ir3Te8 crystallizes in the triclinic P-1 space group. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Te(1), one Te(10), one Te(12), one Te(4), one Te(8), and one Te(9) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(5)Te6 octahedra, corners with three equivalent Ir(6)Te6 octahedra, and  a cornercorner with one Te(12)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. In the second Ir site, Ir(2) is bonded to two equivalent Te(3), two equivalent Te(4), and two equivalent Te(7) atoms to form IrTe6 octahedra that share corners with two equivalent Ir(1)Te6 octahedra, corners with two equivalent Ir(3)Te6 octahedra, corners with two equivalent Ir(4)Te6 octahedra, corners with two equivalent Ir(6)Te6 octahedra, and corners with two equivalent Te(6)TeIr3 tetrahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the third Ir site, Ir(3) is bonded to two equivalent Te(3), two equivalent Te(5), and two equivalent Te(8) atoms to form IrTe6 octahedra that share corners with two equivalent Ir(1)Te6 octahedra, corners with two equivalent Ir(2)Te6 octahedra, corners with two equivalent Ir(4)Te6 octahedra, corners with two equivalent Ir(5)Te6 octahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, and corners with two equivalent Te(4)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-64°. In the fourth Ir site, Ir(4) is bonded to two equivalent Te(6), two equivalent Te(7), and two equivalent Te(8) atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the fifth Ir site, Ir(5) is bonded to one Te(1), one Te(11), one Te(12), one Te(5), one Te(6), and one Te(9) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(1)Te6 octahedra, corners with three equivalent Ir(6)Te6 octahedra,  a cornercorner with one Te(12)TeIr3 trigonal pyramid, and  a cornercorner with one Te(4)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. In the sixth Ir site, Ir(6) is bonded to one Te(10), one Te(11), one Te(12), one Te(2), one Te(4), and one Te(6) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(1)Te6 octahedra, corners with three equivalent Ir(5)Te6 octahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra, and  a cornercorner with one Te(12)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one Ir(5), and one Te(7) atom. In the second Te site, Te(2) is bonded in a distorted water-like geometry to one Ir(6) and one Te(8) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Ir(2), one Ir(3), and one Te(6) atom. In the fourth Te site, Te(4) is bonded to one Ir(1), one Ir(2), one Ir(6), and one Te(5) atom to form distorted TeTeIr3 trigonal pyramids that share  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(5)Te6 octahedra,  a cornercorner with one Te(6)TeIr3 tetrahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(4)TeIr3 trigonal pyramid, and corners with two equivalent Te(12)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 81-83°. In the fifth Te site, Te(5) is bonded in a 3-coordinate geometry to one Ir(3), one Ir(5), and one Te(4) atom. In the sixth Te site, Te(6) is bonded to one Ir(4), one Ir(5), one Ir(6), and one Te(3) atom to form distorted TeTeIr3 tetrahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Te(6)TeIr3 tetrahedra, corners with two equivalent Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(4)TeIr3 trigonal pyramid, and corners with two equivalent Te(12)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 83°. In the seventh Te site, Te(7) is bonded in a 3-coordinate geometry to one Ir(2), one Ir(4), and one Te(1) atom. In the eighth Te site, Te(8) is bonded to one Ir(1), one Ir(3), one Ir(4), and one Te(2) atom to form distorted TeTeIr3 tetrahedra that share  a cornercorner with one Ir(6)Te6 octahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, corners with two equivalent Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(12)TeIr3 trigonal pyramid, and  a cornercorner with one Te(4)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles are 80°. In the ninth Te site, Te(9) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(5), and one Te(9) atom. In the tenth Te site, Te(10) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(6), and one Te(10) atom. In the eleventh Te site, Te(11) is bonded in a 3-coordinate geometry to one Ir(5), one Ir(6), and one Te(11) atom. In the twelfth Te site, Te(12) is bonded to one Ir(1), one Ir(5), one Ir(6), and one Te(12) atom to form distorted TeTeIr3 trigonal pyramids that share  a cornercorner with one Ir(1)Te6 octahedra,  a cornercorner with one Ir(5)Te6 octahedra,  a cornercorner with one Ir(6)Te6 octahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, and corners with two equivalent Te(4)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 81-82°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te8Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.490
_cell_length_b   9.175
_cell_length_c   9.126
_cell_angle_alpha   60.227
_cell_angle_beta   45.404
_cell_angle_gamma   44.888
_symmetry_Int_Tables_number   1
_cell_volume   820.118
_cell_formula_units_Z   3
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
  Te  Te0  1  0.039  0.126  0.626  1.0
  Te  Te1  1  0.128  0.359  0.117  1.0
  Te  Te2  1  0.213  0.365  0.360  1.0
  Te  Te3  1  0.125  0.124  0.872  1.0
  Te  Te4  1  0.208  0.871  0.140  1.0
  Te  Te5  1  0.126  0.622  0.622  1.0
  Te  Te6  1  0.373  0.130  0.631  1.0
  Te  Te7  1  0.459  0.383  0.121  1.0
  Te  Te8  1  0.207  0.617  0.879  1.0
  Te  Te9  1  0.294  0.870  0.369  1.0
  Te  Te10  1  0.541  0.378  0.378  1.0
  Te  Te11  1  0.459  0.129  0.860  1.0
  Te  Te12  1  0.542  0.876  0.128  1.0
  Te  Te13  1  0.454  0.635  0.640  1.0
  Te  Te14  1  0.706  0.127  0.626  1.0
  Te  Te15  1  0.794  0.369  0.128  1.0
  Te  Te16  1  0.539  0.641  0.883  1.0
  Te  Te17  1  0.627  0.874  0.374  1.0
  Te  Te18  1  0.877  0.374  0.368  1.0
  Te  Te19  1  0.789  0.132  0.872  1.0
  Te  Te20  1  0.878  0.868  0.128  1.0
  Te  Te21  1  0.790  0.626  0.632  1.0
  Te  Te22  1  0.873  0.631  0.872  1.0
  Te  Te23  1  0.961  0.873  0.374  1.0
  Ir  Ir24  1  0.001  1.000  0.996  1.0
  Ir  Ir25  1  0.333  0.000  0.500  1.0
  Ir  Ir26  1  0.333  0.500  0.000  1.0
  Ir  Ir27  1  0.666  0.000  0.004  1.0
  Ir  Ir28  1  0.333  0.500  0.500  1.0
  Ir  Ir29  1  0.667  0.000  0.498  1.0
  Ir  Ir30  1  0.667  0.500  0.003  1.0
  Ir  Ir31  1  0.999  1.000  0.502  1.0
  Ir  Ir32  1  0.999  0.500  0.997  1.0
[/CIF]
.