The crystal structure described by Cu2TeO6 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. 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 four equivalent Cu(1)O6 octahedra and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Cu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.702
_cell_length_b   5.042
_cell_length_c   9.106
_cell_angle_alpha   90.000
_cell_angle_beta   97.385
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.132
_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
  Cu  Cu0  1  0.517  0.981  0.679  1.0
  Cu  Cu1  1  0.017  0.519  0.179  1.0
  Cu  Cu2  1  0.483  0.019  0.321  1.0
  Cu  Cu3  1  0.983  0.481  0.821  1.0
  Te  Te4  1  0.500  0.500  0.500  1.0
  Te  Te5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.732  0.195  0.467  1.0
  O  O7  1  0.232  0.305  0.967  1.0
  O  O8  1  0.268  0.805  0.533  1.0
  O  O9  1  0.768  0.695  0.033  1.0
  O  O10  1  0.805  0.207  0.138  1.0
  O  O11  1  0.305  0.293  0.638  1.0
  O  O12  1  0.195  0.793  0.862  1.0
  O  O13  1  0.695  0.707  0.362  1.0
  O  O14  1  0.751  0.169  0.829  1.0
  O  O15  1  0.251  0.331  0.329  1.0
  O  O16  1  0.249  0.831  0.171  1.0
  O  O17  1  0.749  0.669  0.671  1.0
[/CIF]
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The crystal structure described by Cu2TeO6 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. 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 four equivalent Cu(1)O6 octahedra and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Cu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.702
_cell_length_b   5.042
_cell_length_c   9.106
_cell_angle_alpha   90.000
_cell_angle_beta   97.385
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.132
_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
  Cu  Cu0  1  0.517  0.981  0.679  1.0
  Cu  Cu1  1  0.017  0.519  0.179  1.0
  Cu  Cu2  1  0.483  0.019  0.321  1.0
  Cu  Cu3  1  0.983  0.481  0.821  1.0
  Te  Te4  1  0.500  0.500  0.500  1.0
  Te  Te5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.732  0.195  0.467  1.0
  O  O7  1  0.232  0.305  0.967  1.0
  O  O8  1  0.268  0.805  0.533  1.0
  O  O9  1  0.768  0.695  0.033  1.0
  O  O10  1  0.805  0.207  0.138  1.0
  O  O11  1  0.305  0.293  0.638  1.0
  O  O12  1  0.195  0.793  0.862  1.0
  O  O13  1  0.695  0.707  0.362  1.0
  O  O14  1  0.751  0.169  0.829  1.0
  O  O15  1  0.251  0.331  0.329  1.0
  O  O16  1  0.249  0.831  0.171  1.0
  O  O17  1  0.749  0.669  0.671  1.0
[/CIF]
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