The material structure described by CuTeO3 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Te(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_CuTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.822
_cell_length_b   6.070
_cell_length_c   7.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.437
_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  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  Te  Te4  1  0.993  0.992  0.250  1.0
  Te  Te5  1  0.493  0.508  0.750  1.0
  Te  Te6  1  0.507  0.492  0.250  1.0
  Te  Te7  1  0.007  0.008  0.750  1.0
  O  O8  1  0.412  0.700  0.443  1.0
  O  O9  1  0.912  0.800  0.557  1.0
  O  O10  1  0.088  0.200  0.057  1.0
  O  O11  1  0.588  0.300  0.943  1.0
  O  O12  1  0.588  0.300  0.557  1.0
  O  O13  1  0.088  0.200  0.443  1.0
  O  O14  1  0.912  0.800  0.943  1.0
  O  O15  1  0.412  0.700  0.057  1.0
  O  O16  1  0.662  0.051  0.250  1.0
  O  O17  1  0.162  0.449  0.750  1.0
  O  O18  1  0.838  0.551  0.250  1.0
  O  O19  1  0.338  0.949  0.750  1.0
[/CIF]
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The material structure described by CuTeO3 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Te(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_CuTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.822
_cell_length_b   6.070
_cell_length_c   7.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.437
_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  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  Te  Te4  1  0.993  0.992  0.250  1.0
  Te  Te5  1  0.493  0.508  0.750  1.0
  Te  Te6  1  0.507  0.492  0.250  1.0
  Te  Te7  1  0.007  0.008  0.750  1.0
  O  O8  1  0.412  0.700  0.443  1.0
  O  O9  1  0.912  0.800  0.557  1.0
  O  O10  1  0.088  0.200  0.057  1.0
  O  O11  1  0.588  0.300  0.943  1.0
  O  O12  1  0.588  0.300  0.557  1.0
  O  O13  1  0.088  0.200  0.443  1.0
  O  O14  1  0.912  0.800  0.943  1.0
  O  O15  1  0.412  0.700  0.057  1.0
  O  O16  1  0.662  0.051  0.250  1.0
  O  O17  1  0.162  0.449  0.750  1.0
  O  O18  1  0.838  0.551  0.250  1.0
  O  O19  1  0.338  0.949  0.750  1.0
[/CIF]
.