The material described by TeO3 crystallizes in the orthorhombic Pnma space group. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. is represented by the CIF card [CIF]
data_TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.994
_cell_length_b   5.190
_cell_length_c   7.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.547
_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
  Te  Te0  1  0.000  0.000  0.500  1.0
  Te  Te1  1  0.500  0.500  0.500  1.0
  Te  Te2  1  0.500  0.500  0.000  1.0
  Te  Te3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.377  0.526  0.250  1.0
  O  O5  1  0.877  0.974  0.750  1.0
  O  O6  1  0.123  0.026  0.250  1.0
  O  O7  1  0.623  0.474  0.750  1.0
  O  O8  1  0.185  0.309  0.939  1.0
  O  O9  1  0.685  0.191  0.061  1.0
  O  O10  1  0.315  0.809  0.561  1.0
  O  O11  1  0.815  0.691  0.439  1.0
  O  O12  1  0.185  0.309  0.561  1.0
  O  O13  1  0.685  0.191  0.439  1.0
  O  O14  1  0.815  0.691  0.061  1.0
  O  O15  1  0.315  0.809  0.939  1.0
[/CIF]
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The material described by TeO3 crystallizes in the orthorhombic Pnma space group. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. is represented by the CIF card [CIF]
data_TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.994
_cell_length_b   5.190
_cell_length_c   7.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.547
_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
  Te  Te0  1  0.000  0.000  0.500  1.0
  Te  Te1  1  0.500  0.500  0.500  1.0
  Te  Te2  1  0.500  0.500  0.000  1.0
  Te  Te3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.377  0.526  0.250  1.0
  O  O5  1  0.877  0.974  0.750  1.0
  O  O6  1  0.123  0.026  0.250  1.0
  O  O7  1  0.623  0.474  0.750  1.0
  O  O8  1  0.185  0.309  0.939  1.0
  O  O9  1  0.685  0.191  0.061  1.0
  O  O10  1  0.315  0.809  0.561  1.0
  O  O11  1  0.815  0.691  0.439  1.0
  O  O12  1  0.185  0.309  0.561  1.0
  O  O13  1  0.685  0.191  0.439  1.0
  O  O14  1  0.815  0.691  0.061  1.0
  O  O15  1  0.315  0.809  0.939  1.0
[/CIF]
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