The material described by Li6(TeO6) crystallizes in the trigonal R-3 space group. Li(1) is bonded to five equivalent O(1) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Te(1)O6 octahedra, corners with eight equivalent Li(1)O5 square pyramids, edges with two equivalent Te(1)O6 octahedra, and edges with six equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 12°. Te(1) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O5 square pyramids and edges with twelve equivalent Li(1)O5 square pyramids. O(1) is bonded to five equivalent Li(1) and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi5Te octahedra. The corner-sharing octahedral tilt angles range from 0-18°. is represented by the CIF card [CIF]
data_Li6TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   5.091
_cell_length_c   5.091
_cell_angle_alpha   101.022
_cell_angle_beta   101.022
_cell_angle_gamma   101.022
_symmetry_Int_Tables_number   1
_cell_volume   123.510
_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
  Li  Li0  1  0.701  0.916  0.406  1.0
  Li  Li1  1  0.594  0.299  0.084  1.0
  Li  Li2  1  0.084  0.594  0.299  1.0
  Li  Li3  1  0.299  0.084  0.594  1.0
  Li  Li4  1  0.406  0.701  0.916  1.0
  Li  Li5  1  0.916  0.406  0.701  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.779  0.677  0.064  1.0
  O  O8  1  0.936  0.221  0.323  1.0
  O  O9  1  0.323  0.936  0.221  1.0
  O  O10  1  0.221  0.323  0.936  1.0
  O  O11  1  0.064  0.779  0.677  1.0
  O  O12  1  0.677  0.064  0.779  1.0
[/CIF]
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The material described by Li6(TeO6) crystallizes in the trigonal R-3 space group. Li(1) is bonded to five equivalent O(1) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Te(1)O6 octahedra, corners with eight equivalent Li(1)O5 square pyramids, edges with two equivalent Te(1)O6 octahedra, and edges with six equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 12°. Te(1) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O5 square pyramids and edges with twelve equivalent Li(1)O5 square pyramids. O(1) is bonded to five equivalent Li(1) and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi5Te octahedra. The corner-sharing octahedral tilt angles range from 0-18°. is represented by the CIF card [CIF]
data_Li6TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   5.091
_cell_length_c   5.091
_cell_angle_alpha   101.022
_cell_angle_beta   101.022
_cell_angle_gamma   101.022
_symmetry_Int_Tables_number   1
_cell_volume   123.510
_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
  Li  Li0  1  0.701  0.916  0.406  1.0
  Li  Li1  1  0.594  0.299  0.084  1.0
  Li  Li2  1  0.084  0.594  0.299  1.0
  Li  Li3  1  0.299  0.084  0.594  1.0
  Li  Li4  1  0.406  0.701  0.916  1.0
  Li  Li5  1  0.916  0.406  0.701  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.779  0.677  0.064  1.0
  O  O8  1  0.936  0.221  0.323  1.0
  O  O9  1  0.323  0.936  0.221  1.0
  O  O10  1  0.221  0.323  0.936  1.0
  O  O11  1  0.064  0.779  0.677  1.0
  O  O12  1  0.677  0.064  0.779  1.0
[/CIF]
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