The crystal structure described by Li2Cu2TeO6 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cu(1), and one Te(1) atom to form a mixture of corner and edge-sharing OLi2Cu2Te trigonal bipyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cu(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li2Cu2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   5.219
_cell_length_c   5.455
_cell_angle_alpha   104.296
_cell_angle_beta   104.296
_cell_angle_gamma   112.438
_symmetry_Int_Tables_number   1
_cell_volume   123.048
_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  0.809  0.191  0.500  1.0
  Li  Li1  1  0.191  0.809  0.500  1.0
  Cu  Cu2  1  0.336  0.664  0.000  1.0
  Cu  Cu3  1  0.664  0.336  0.000  1.0
  Te  Te4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.763  0.763  0.177  1.0
  O  O6  1  0.237  0.237  0.823  1.0
  O  O7  1  0.023  0.356  0.246  1.0
  O  O8  1  0.356  0.023  0.246  1.0
  O  O9  1  0.977  0.644  0.754  1.0
  O  O10  1  0.644  0.977  0.754  1.0
[/CIF]
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The crystal structure described by Li2Cu2TeO6 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cu(1), and one Te(1) atom to form a mixture of corner and edge-sharing OLi2Cu2Te trigonal bipyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cu(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li2Cu2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   5.219
_cell_length_c   5.455
_cell_angle_alpha   104.296
_cell_angle_beta   104.296
_cell_angle_gamma   112.438
_symmetry_Int_Tables_number   1
_cell_volume   123.048
_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  0.809  0.191  0.500  1.0
  Li  Li1  1  0.191  0.809  0.500  1.0
  Cu  Cu2  1  0.336  0.664  0.000  1.0
  Cu  Cu3  1  0.664  0.336  0.000  1.0
  Te  Te4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.763  0.763  0.177  1.0
  O  O6  1  0.237  0.237  0.823  1.0
  O  O7  1  0.023  0.356  0.246  1.0
  O  O8  1  0.356  0.023  0.246  1.0
  O  O9  1  0.977  0.644  0.754  1.0
  O  O10  1  0.644  0.977  0.754  1.0
[/CIF]
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