The crystal structure described by Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Cu site, Cu(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form CuO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TeO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a water-like geometry to two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(2) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3(TeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.507
_cell_length_c   7.777
_cell_angle_alpha   108.473
_cell_angle_beta   97.505
_cell_angle_gamma   105.179
_symmetry_Int_Tables_number   1
_cell_volume   198.524
_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
  Cu  Cu0  1  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.699  0.884  0.904  1.0
  Cu  Cu2  1  0.301  0.116  0.096  1.0
  Te  Te3  1  0.114  0.708  0.695  1.0
  Te  Te4  1  0.886  0.292  0.305  1.0
  O  O5  1  0.064  0.048  0.845  1.0
  O  O6  1  0.314  0.719  0.944  1.0
  O  O7  1  0.096  0.329  0.543  1.0
  O  O8  1  0.198  0.454  0.206  1.0
  O  O9  1  0.473  0.869  0.680  1.0
  O  O10  1  0.527  0.131  0.320  1.0
  O  O11  1  0.802  0.546  0.794  1.0
  O  O12  1  0.904  0.671  0.457  1.0
  O  O13  1  0.686  0.281  0.056  1.0
  O  O14  1  0.936  0.952  0.155  1.0
[/CIF]
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The crystal structure described by Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Cu site, Cu(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form CuO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TeO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a water-like geometry to two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(2) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3(TeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.507
_cell_length_c   7.777
_cell_angle_alpha   108.473
_cell_angle_beta   97.505
_cell_angle_gamma   105.179
_symmetry_Int_Tables_number   1
_cell_volume   198.524
_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
  Cu  Cu0  1  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.699  0.884  0.904  1.0
  Cu  Cu2  1  0.301  0.116  0.096  1.0
  Te  Te3  1  0.114  0.708  0.695  1.0
  Te  Te4  1  0.886  0.292  0.305  1.0
  O  O5  1  0.064  0.048  0.845  1.0
  O  O6  1  0.314  0.719  0.944  1.0
  O  O7  1  0.096  0.329  0.543  1.0
  O  O8  1  0.198  0.454  0.206  1.0
  O  O9  1  0.473  0.869  0.680  1.0
  O  O10  1  0.527  0.131  0.320  1.0
  O  O11  1  0.802  0.546  0.794  1.0
  O  O12  1  0.904  0.671  0.457  1.0
  O  O13  1  0.686  0.281  0.056  1.0
  O  O14  1  0.936  0.952  0.155  1.0
[/CIF]
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