The structure described by TeO3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. In the second Te site, Te(2) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Te(2) atoms. In the third O site, O(3) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the sixth O site, O(6) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.145
_cell_length_b   8.093
_cell_length_c   9.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.887
_cell_formula_units_Z   8
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
  Te  Te0  1  0.188  0.380  0.090  1.0
  Te  Te1  1  0.688  0.620  0.910  1.0
  Te  Te2  1  0.688  0.880  0.410  1.0
  Te  Te3  1  0.188  0.120  0.590  1.0
  Te  Te4  1  0.983  0.472  0.375  1.0
  Te  Te5  1  0.483  0.528  0.625  1.0
  Te  Te6  1  0.483  0.972  0.125  1.0
  Te  Te7  1  0.983  0.028  0.875  1.0
  O  O8  1  0.089  0.249  0.432  1.0
  O  O9  1  0.589  0.751  0.568  1.0
  O  O10  1  0.589  0.749  0.068  1.0
  O  O11  1  0.089  0.251  0.932  1.0
  O  O12  1  0.663  0.420  0.475  1.0
  O  O13  1  0.163  0.580  0.525  1.0
  O  O14  1  0.163  0.920  0.025  1.0
  O  O15  1  0.663  0.080  0.975  1.0
  O  O16  1  0.867  0.358  0.207  1.0
  O  O17  1  0.367  0.642  0.793  1.0
  O  O18  1  0.367  0.858  0.293  1.0
  O  O19  1  0.867  0.142  0.707  1.0
  O  O20  1  0.346  0.314  0.681  1.0
  O  O21  1  0.846  0.686  0.319  1.0
  O  O22  1  0.846  0.814  0.819  1.0
  O  O23  1  0.346  0.186  0.181  1.0
  O  O24  1  0.519  0.431  0.001  1.0
  O  O25  1  0.019  0.569  0.999  1.0
  O  O26  1  0.019  0.931  0.499  1.0
  O  O27  1  0.519  0.069  0.501  1.0
  O  O28  1  0.289  0.506  0.254  1.0
  O  O29  1  0.789  0.494  0.746  1.0
  O  O30  1  0.789  0.006  0.246  1.0
  O  O31  1  0.289  0.994  0.754  1.0
[/CIF]
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The structure described by TeO3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. In the second Te site, Te(2) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Te(2) atoms. In the third O site, O(3) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the sixth O site, O(6) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.145
_cell_length_b   8.093
_cell_length_c   9.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.887
_cell_formula_units_Z   8
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
  Te  Te0  1  0.188  0.380  0.090  1.0
  Te  Te1  1  0.688  0.620  0.910  1.0
  Te  Te2  1  0.688  0.880  0.410  1.0
  Te  Te3  1  0.188  0.120  0.590  1.0
  Te  Te4  1  0.983  0.472  0.375  1.0
  Te  Te5  1  0.483  0.528  0.625  1.0
  Te  Te6  1  0.483  0.972  0.125  1.0
  Te  Te7  1  0.983  0.028  0.875  1.0
  O  O8  1  0.089  0.249  0.432  1.0
  O  O9  1  0.589  0.751  0.568  1.0
  O  O10  1  0.589  0.749  0.068  1.0
  O  O11  1  0.089  0.251  0.932  1.0
  O  O12  1  0.663  0.420  0.475  1.0
  O  O13  1  0.163  0.580  0.525  1.0
  O  O14  1  0.163  0.920  0.025  1.0
  O  O15  1  0.663  0.080  0.975  1.0
  O  O16  1  0.867  0.358  0.207  1.0
  O  O17  1  0.367  0.642  0.793  1.0
  O  O18  1  0.367  0.858  0.293  1.0
  O  O19  1  0.867  0.142  0.707  1.0
  O  O20  1  0.346  0.314  0.681  1.0
  O  O21  1  0.846  0.686  0.319  1.0
  O  O22  1  0.846  0.814  0.819  1.0
  O  O23  1  0.346  0.186  0.181  1.0
  O  O24  1  0.519  0.431  0.001  1.0
  O  O25  1  0.019  0.569  0.999  1.0
  O  O26  1  0.019  0.931  0.499  1.0
  O  O27  1  0.519  0.069  0.501  1.0
  O  O28  1  0.289  0.506  0.254  1.0
  O  O29  1  0.789  0.494  0.746  1.0
  O  O30  1  0.789  0.006  0.246  1.0
  O  O31  1  0.289  0.994  0.754  1.0
[/CIF]
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