The structure described by IrTeO6 crystallizes in the monoclinic P2_1/c space group. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ir(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ir(1) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ir(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_TeIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.240
_cell_length_b   5.014
_cell_length_c   8.865
_cell_angle_alpha   55.459
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.864
_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
  Te  Te0  1  0.500  0.000  0.000  1.0
  Te  Te1  1  0.000  0.000  0.500  1.0
  Ir  Ir2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.462  0.611  0.254  1.0
  O  O5  1  0.177  0.892  0.931  1.0
  O  O6  1  0.181  0.264  0.567  1.0
  O  O7  1  0.681  0.736  0.933  1.0
  O  O8  1  0.677  0.108  0.569  1.0
  O  O9  1  0.962  0.389  0.246  1.0
  O  O10  1  0.038  0.611  0.754  1.0
  O  O11  1  0.323  0.892  0.431  1.0
  O  O12  1  0.319  0.264  0.067  1.0
  O  O13  1  0.823  0.108  0.069  1.0
  O  O14  1  0.819  0.736  0.433  1.0
  O  O15  1  0.538  0.389  0.746  1.0
[/CIF]
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The structure described by IrTeO6 crystallizes in the monoclinic P2_1/c space group. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ir(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ir(1) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ir(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_TeIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.240
_cell_length_b   5.014
_cell_length_c   8.865
_cell_angle_alpha   55.459
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.864
_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
  Te  Te0  1  0.500  0.000  0.000  1.0
  Te  Te1  1  0.000  0.000  0.500  1.0
  Ir  Ir2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.462  0.611  0.254  1.0
  O  O5  1  0.177  0.892  0.931  1.0
  O  O6  1  0.181  0.264  0.567  1.0
  O  O7  1  0.681  0.736  0.933  1.0
  O  O8  1  0.677  0.108  0.569  1.0
  O  O9  1  0.962  0.389  0.246  1.0
  O  O10  1  0.038  0.611  0.754  1.0
  O  O11  1  0.323  0.892  0.431  1.0
  O  O12  1  0.319  0.264  0.067  1.0
  O  O13  1  0.823  0.108  0.069  1.0
  O  O14  1  0.819  0.736  0.433  1.0
  O  O15  1  0.538  0.389  0.746  1.0
[/CIF]
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