The material structure described by BaTeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) 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(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Te(1) atom. In the second O site, O(1) is bonded to three equivalent Ba(1) and one Te(1) atom to form a mixture of distorted corner and edge-sharing OBa3Te tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.650
_cell_length_b   5.959
_cell_length_c   7.121
_cell_angle_alpha   90.000
_cell_angle_beta   106.447
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.264
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.660  0.750  0.310  1.0
  Ba  Ba1  1  0.340  0.250  0.690  1.0
  Te  Te2  1  0.931  0.750  0.852  1.0
  Te  Te3  1  0.069  0.250  0.148  1.0
  O  O4  1  0.176  0.487  0.326  1.0
  O  O5  1  0.824  0.987  0.674  1.0
  O  O6  1  0.824  0.513  0.674  1.0
  O  O7  1  0.176  0.013  0.326  1.0
  O  O8  1  0.654  0.250  0.112  1.0
  O  O9  1  0.346  0.750  0.888  1.0
[/CIF]
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The material structure described by BaTeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) 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(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Te(1) atom. In the second O site, O(1) is bonded to three equivalent Ba(1) and one Te(1) atom to form a mixture of distorted corner and edge-sharing OBa3Te tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.650
_cell_length_b   5.959
_cell_length_c   7.121
_cell_angle_alpha   90.000
_cell_angle_beta   106.447
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.264
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.660  0.750  0.310  1.0
  Ba  Ba1  1  0.340  0.250  0.690  1.0
  Te  Te2  1  0.931  0.750  0.852  1.0
  Te  Te3  1  0.069  0.250  0.148  1.0
  O  O4  1  0.176  0.487  0.326  1.0
  O  O5  1  0.824  0.987  0.674  1.0
  O  O6  1  0.824  0.513  0.674  1.0
  O  O7  1  0.176  0.013  0.326  1.0
  O  O8  1  0.654  0.250  0.112  1.0
  O  O9  1  0.346  0.750  0.888  1.0
[/CIF]
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