The crystal 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(5), one O(6), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with three equivalent Te(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 48°. In the second Te site, Te(2) is bonded to one O(1), one O(3), one O(5), and two equivalent O(2) atoms to form distorted TeO5 square pyramids that share corners with three equivalent Te(1)O6 octahedra and corners with two equivalent Te(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 42-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Te(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Te(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF card [CIF]
data_TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   8.316
_cell_length_c   12.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.988
_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  0.001  0.467  0.609  1.0
  Te  Te1  1  0.501  0.533  0.391  1.0
  Te  Te2  1  0.501  0.967  0.891  1.0
  Te  Te3  1  0.001  0.033  0.109  1.0
  Te  Te4  1  0.846  0.359  0.937  1.0
  Te  Te5  1  0.346  0.641  0.063  1.0
  Te  Te6  1  0.346  0.859  0.563  1.0
  Te  Te7  1  0.846  0.141  0.437  1.0
  O  O8  1  0.783  0.480  0.742  1.0
  O  O9  1  0.283  0.520  0.258  1.0
  O  O10  1  0.283  0.980  0.758  1.0
  O  O11  1  0.783  0.020  0.242  1.0
  O  O12  1  0.489  0.449  0.959  1.0
  O  O13  1  0.989  0.551  0.041  1.0
  O  O14  1  0.989  0.949  0.541  1.0
  O  O15  1  0.489  0.051  0.459  1.0
  O  O16  1  0.692  0.335  0.356  1.0
  O  O17  1  0.192  0.665  0.644  1.0
  O  O18  1  0.192  0.835  0.144  1.0
  O  O19  1  0.692  0.165  0.856  1.0
  O  O20  1  0.239  0.408  0.482  1.0
  O  O21  1  0.739  0.592  0.518  1.0
  O  O22  1  0.739  0.908  0.018  1.0
  O  O23  1  0.239  0.092  0.982  1.0
  O  O24  1  0.813  0.263  0.575  1.0
  O  O25  1  0.313  0.737  0.425  1.0
  O  O26  1  0.313  0.763  0.925  1.0
  O  O27  1  0.813  0.237  0.075  1.0
  O  O28  1  0.221  0.357  0.719  1.0
  O  O29  1  0.721  0.643  0.281  1.0
  O  O30  1  0.721  0.857  0.781  1.0
  O  O31  1  0.221  0.143  0.219  1.0
[/CIF]
.
The crystal 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(5), one O(6), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with three equivalent Te(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 48°. In the second Te site, Te(2) is bonded to one O(1), one O(3), one O(5), and two equivalent O(2) atoms to form distorted TeO5 square pyramids that share corners with three equivalent Te(1)O6 octahedra and corners with two equivalent Te(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 42-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Te(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Te(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF card [CIF]
data_TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   8.316
_cell_length_c   12.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.988
_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  0.001  0.467  0.609  1.0
  Te  Te1  1  0.501  0.533  0.391  1.0
  Te  Te2  1  0.501  0.967  0.891  1.0
  Te  Te3  1  0.001  0.033  0.109  1.0
  Te  Te4  1  0.846  0.359  0.937  1.0
  Te  Te5  1  0.346  0.641  0.063  1.0
  Te  Te6  1  0.346  0.859  0.563  1.0
  Te  Te7  1  0.846  0.141  0.437  1.0
  O  O8  1  0.783  0.480  0.742  1.0
  O  O9  1  0.283  0.520  0.258  1.0
  O  O10  1  0.283  0.980  0.758  1.0
  O  O11  1  0.783  0.020  0.242  1.0
  O  O12  1  0.489  0.449  0.959  1.0
  O  O13  1  0.989  0.551  0.041  1.0
  O  O14  1  0.989  0.949  0.541  1.0
  O  O15  1  0.489  0.051  0.459  1.0
  O  O16  1  0.692  0.335  0.356  1.0
  O  O17  1  0.192  0.665  0.644  1.0
  O  O18  1  0.192  0.835  0.144  1.0
  O  O19  1  0.692  0.165  0.856  1.0
  O  O20  1  0.239  0.408  0.482  1.0
  O  O21  1  0.739  0.592  0.518  1.0
  O  O22  1  0.739  0.908  0.018  1.0
  O  O23  1  0.239  0.092  0.982  1.0
  O  O24  1  0.813  0.263  0.575  1.0
  O  O25  1  0.313  0.737  0.425  1.0
  O  O26  1  0.313  0.763  0.925  1.0
  O  O27  1  0.813  0.237  0.075  1.0
  O  O28  1  0.221  0.357  0.719  1.0
  O  O29  1  0.721  0.643  0.281  1.0
  O  O30  1  0.721  0.857  0.781  1.0
  O  O31  1  0.221  0.143  0.219  1.0
[/CIF]
.