The material described by Ba2TeO crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to five equivalent Te(1) and one O(1) atom. In the second Ba site, Ba(2) is bonded to four equivalent Te(1) and four equivalent O(1) atoms to form a mixture of distorted edge and face-sharing BaTe4O4 trigonal pyramids. Te(1) is bonded in a 9-coordinate geometry to four equivalent Ba(2) and five equivalent Ba(1) atoms. O(1) is bonded to one Ba(1) and four equivalent Ba(2) atoms to form a mixture of distorted edge and corner-sharing OBa5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba2TeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.097
_cell_length_c   10.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.262
_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  0.500  0.000  0.834  1.0
  Ba  Ba1  1  0.000  0.500  0.166  1.0
  Ba  Ba2  1  0.500  0.500  0.500  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Te  Te4  1  0.000  0.500  0.800  1.0
  Te  Te5  1  0.500  0.000  0.200  1.0
  O  O6  1  0.500  0.000  0.589  1.0
  O  O7  1  0.000  0.500  0.411  1.0
[/CIF]
.
The material described by Ba2TeO crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to five equivalent Te(1) and one O(1) atom. In the second Ba site, Ba(2) is bonded to four equivalent Te(1) and four equivalent O(1) atoms to form a mixture of distorted edge and face-sharing BaTe4O4 trigonal pyramids. Te(1) is bonded in a 9-coordinate geometry to four equivalent Ba(2) and five equivalent Ba(1) atoms. O(1) is bonded to one Ba(1) and four equivalent Ba(2) atoms to form a mixture of distorted edge and corner-sharing OBa5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba2TeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.097
_cell_length_c   10.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.262
_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  0.500  0.000  0.834  1.0
  Ba  Ba1  1  0.000  0.500  0.166  1.0
  Ba  Ba2  1  0.500  0.500  0.500  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Te  Te4  1  0.000  0.500  0.800  1.0
  Te  Te5  1  0.500  0.000  0.200  1.0
  O  O6  1  0.500  0.000  0.589  1.0
  O  O7  1  0.000  0.500  0.411  1.0
[/CIF]
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