The material structure described by CuTeO3 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted edge-sharing CuO5 square pyramids. Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cu(1) and two equivalent Te(1) atoms. is represented by the CIF card [CIF]
data_CuTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.356
_cell_length_b   5.291
_cell_length_c   7.569
_cell_angle_alpha   51.935
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.978
_cell_formula_units_Z   4
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  0.484  0.622  0.640  1.0
  Cu  Cu1  1  0.016  0.622  0.140  1.0
  Cu  Cu2  1  0.516  0.378  0.360  1.0
  Cu  Cu3  1  0.984  0.378  0.860  1.0
  Te  Te4  1  0.790  0.837  0.410  1.0
  Te  Te5  1  0.210  0.163  0.590  1.0
  Te  Te6  1  0.290  0.163  0.090  1.0
  Te  Te7  1  0.710  0.837  0.910  1.0
  O  O8  1  0.862  0.419  0.641  1.0
  O  O9  1  0.397  0.322  0.597  1.0
  O  O10  1  0.649  0.843  0.650  1.0
  O  O11  1  0.897  0.678  0.903  1.0
  O  O12  1  0.149  0.157  0.850  1.0
  O  O13  1  0.851  0.843  0.150  1.0
  O  O14  1  0.362  0.581  0.859  1.0
  O  O15  1  0.138  0.581  0.359  1.0
  O  O16  1  0.103  0.322  0.097  1.0
  O  O17  1  0.603  0.678  0.403  1.0
  O  O18  1  0.638  0.419  0.141  1.0
  O  O19  1  0.351  0.157  0.350  1.0
[/CIF]
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The material structure described by CuTeO3 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted edge-sharing CuO5 square pyramids. Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cu(1) and two equivalent Te(1) atoms. is represented by the CIF card [CIF]
data_CuTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.356
_cell_length_b   5.291
_cell_length_c   7.569
_cell_angle_alpha   51.935
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.978
_cell_formula_units_Z   4
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  0.484  0.622  0.640  1.0
  Cu  Cu1  1  0.016  0.622  0.140  1.0
  Cu  Cu2  1  0.516  0.378  0.360  1.0
  Cu  Cu3  1  0.984  0.378  0.860  1.0
  Te  Te4  1  0.790  0.837  0.410  1.0
  Te  Te5  1  0.210  0.163  0.590  1.0
  Te  Te6  1  0.290  0.163  0.090  1.0
  Te  Te7  1  0.710  0.837  0.910  1.0
  O  O8  1  0.862  0.419  0.641  1.0
  O  O9  1  0.397  0.322  0.597  1.0
  O  O10  1  0.649  0.843  0.650  1.0
  O  O11  1  0.897  0.678  0.903  1.0
  O  O12  1  0.149  0.157  0.850  1.0
  O  O13  1  0.851  0.843  0.150  1.0
  O  O14  1  0.362  0.581  0.859  1.0
  O  O15  1  0.138  0.581  0.359  1.0
  O  O16  1  0.103  0.322  0.097  1.0
  O  O17  1  0.603  0.678  0.403  1.0
  O  O18  1  0.638  0.419  0.141  1.0
  O  O19  1  0.351  0.157  0.350  1.0
[/CIF]
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