The crystal structure described by Li2GeTeO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Ge(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form GeO6 octahedra that share edges with three equivalent Te(1)O6 octahedra. Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share edges with three equivalent Ge(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ge(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ge(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li2GeTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   5.692
_cell_length_c   5.692
_cell_angle_alpha   53.015
_cell_angle_beta   53.015
_cell_angle_gamma   53.015
_symmetry_Int_Tables_number   1
_cell_volume   109.025
_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  0.867  0.867  0.867  1.0
  Li  Li1  1  0.132  0.132  0.132  1.0
  Ge  Ge2  1  0.340  0.340  0.340  1.0
  Te  Te3  1  0.660  0.660  0.660  1.0
  O  O4  1  0.285  0.940  0.551  1.0
  O  O5  1  0.551  0.285  0.940  1.0
  O  O6  1  0.940  0.551  0.285  1.0
  O  O7  1  0.705  0.067  0.450  1.0
  O  O8  1  0.450  0.705  0.067  1.0
  O  O9  1  0.067  0.450  0.705  1.0
[/CIF]
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The crystal structure described by Li2GeTeO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Ge(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form GeO6 octahedra that share edges with three equivalent Te(1)O6 octahedra. Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share edges with three equivalent Ge(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ge(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ge(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li2GeTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   5.692
_cell_length_c   5.692
_cell_angle_alpha   53.015
_cell_angle_beta   53.015
_cell_angle_gamma   53.015
_symmetry_Int_Tables_number   1
_cell_volume   109.025
_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  0.867  0.867  0.867  1.0
  Li  Li1  1  0.132  0.132  0.132  1.0
  Ge  Ge2  1  0.340  0.340  0.340  1.0
  Te  Te3  1  0.660  0.660  0.660  1.0
  O  O4  1  0.285  0.940  0.551  1.0
  O  O5  1  0.551  0.285  0.940  1.0
  O  O6  1  0.940  0.551  0.285  1.0
  O  O7  1  0.705  0.067  0.450  1.0
  O  O8  1  0.450  0.705  0.067  1.0
  O  O9  1  0.067  0.450  0.705  1.0
[/CIF]
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