The compound described by BaTeO4 crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing TeO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent Te(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   6.000
_cell_length_c   13.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.812
_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
  Ba  Ba0  1  0.250  0.000  0.164  1.0
  Ba  Ba1  1  0.750  0.000  0.836  1.0
  Ba  Ba2  1  0.250  0.500  0.664  1.0
  Ba  Ba3  1  0.750  0.500  0.336  1.0
  Te  Te4  1  0.250  0.000  0.433  1.0
  Te  Te5  1  0.750  0.000  0.567  1.0
  Te  Te6  1  0.750  0.500  0.067  1.0
  Te  Te7  1  0.250  0.500  0.933  1.0
  O  O8  1  0.353  0.207  0.340  1.0
  O  O9  1  0.853  0.207  0.660  1.0
  O  O10  1  0.927  0.173  0.460  1.0
  O  O11  1  0.427  0.173  0.540  1.0
  O  O12  1  0.427  0.327  0.040  1.0
  O  O13  1  0.927  0.327  0.960  1.0
  O  O14  1  0.853  0.293  0.160  1.0
  O  O15  1  0.353  0.293  0.840  1.0
  O  O16  1  0.647  0.707  0.160  1.0
  O  O17  1  0.147  0.707  0.840  1.0
  O  O18  1  0.073  0.673  0.040  1.0
  O  O19  1  0.573  0.673  0.960  1.0
  O  O20  1  0.573  0.827  0.460  1.0
  O  O21  1  0.073  0.827  0.540  1.0
  O  O22  1  0.147  0.793  0.340  1.0
  O  O23  1  0.647  0.793  0.660  1.0
[/CIF]
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The compound described by BaTeO4 crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing TeO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent Te(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   6.000
_cell_length_c   13.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.812
_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
  Ba  Ba0  1  0.250  0.000  0.164  1.0
  Ba  Ba1  1  0.750  0.000  0.836  1.0
  Ba  Ba2  1  0.250  0.500  0.664  1.0
  Ba  Ba3  1  0.750  0.500  0.336  1.0
  Te  Te4  1  0.250  0.000  0.433  1.0
  Te  Te5  1  0.750  0.000  0.567  1.0
  Te  Te6  1  0.750  0.500  0.067  1.0
  Te  Te7  1  0.250  0.500  0.933  1.0
  O  O8  1  0.353  0.207  0.340  1.0
  O  O9  1  0.853  0.207  0.660  1.0
  O  O10  1  0.927  0.173  0.460  1.0
  O  O11  1  0.427  0.173  0.540  1.0
  O  O12  1  0.427  0.327  0.040  1.0
  O  O13  1  0.927  0.327  0.960  1.0
  O  O14  1  0.853  0.293  0.160  1.0
  O  O15  1  0.353  0.293  0.840  1.0
  O  O16  1  0.647  0.707  0.160  1.0
  O  O17  1  0.147  0.707  0.840  1.0
  O  O18  1  0.073  0.673  0.040  1.0
  O  O19  1  0.573  0.673  0.960  1.0
  O  O20  1  0.573  0.827  0.460  1.0
  O  O21  1  0.073  0.827  0.540  1.0
  O  O22  1  0.147  0.793  0.340  1.0
  O  O23  1  0.647  0.793  0.660  1.0
[/CIF]
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