The compound described by BaTeO4 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. Te(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Te(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_BaTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.862
_cell_length_b   9.137
_cell_length_c   6.255
_cell_angle_alpha   91.948
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.018
_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  0.329  0.197  0.825  1.0
  Ba  Ba1  1  0.829  0.303  0.175  1.0
  Ba  Ba2  1  0.671  0.803  0.175  1.0
  Ba  Ba3  1  0.171  0.697  0.825  1.0
  Te  Te4  1  0.691  0.538  0.711  1.0
  Te  Te5  1  0.191  0.962  0.289  1.0
  Te  Te6  1  0.309  0.462  0.289  1.0
  Te  Te7  1  0.809  0.038  0.711  1.0
  O  O8  1  0.851  0.565  0.926  1.0
  O  O9  1  0.351  0.935  0.074  1.0
  O  O10  1  0.149  0.435  0.074  1.0
  O  O11  1  0.649  0.065  0.926  1.0
  O  O12  1  0.626  0.345  0.733  1.0
  O  O13  1  0.126  0.155  0.267  1.0
  O  O14  1  0.374  0.655  0.267  1.0
  O  O15  1  0.874  0.845  0.733  1.0
  O  O16  1  0.518  0.666  0.789  1.0
  O  O17  1  0.018  0.834  0.211  1.0
  O  O18  1  0.482  0.334  0.211  1.0
  O  O19  1  0.982  0.166  0.789  1.0
  O  O20  1  0.226  0.438  0.562  1.0
  O  O21  1  0.726  0.062  0.438  1.0
  O  O22  1  0.774  0.562  0.438  1.0
  O  O23  1  0.274  0.938  0.562  1.0
[/CIF]
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The compound described by BaTeO4 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. Te(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Te(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_BaTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.862
_cell_length_b   9.137
_cell_length_c   6.255
_cell_angle_alpha   91.948
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.018
_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  0.329  0.197  0.825  1.0
  Ba  Ba1  1  0.829  0.303  0.175  1.0
  Ba  Ba2  1  0.671  0.803  0.175  1.0
  Ba  Ba3  1  0.171  0.697  0.825  1.0
  Te  Te4  1  0.691  0.538  0.711  1.0
  Te  Te5  1  0.191  0.962  0.289  1.0
  Te  Te6  1  0.309  0.462  0.289  1.0
  Te  Te7  1  0.809  0.038  0.711  1.0
  O  O8  1  0.851  0.565  0.926  1.0
  O  O9  1  0.351  0.935  0.074  1.0
  O  O10  1  0.149  0.435  0.074  1.0
  O  O11  1  0.649  0.065  0.926  1.0
  O  O12  1  0.626  0.345  0.733  1.0
  O  O13  1  0.126  0.155  0.267  1.0
  O  O14  1  0.374  0.655  0.267  1.0
  O  O15  1  0.874  0.845  0.733  1.0
  O  O16  1  0.518  0.666  0.789  1.0
  O  O17  1  0.018  0.834  0.211  1.0
  O  O18  1  0.482  0.334  0.211  1.0
  O  O19  1  0.982  0.166  0.789  1.0
  O  O20  1  0.226  0.438  0.562  1.0
  O  O21  1  0.726  0.062  0.438  1.0
  O  O22  1  0.774  0.562  0.438  1.0
  O  O23  1  0.274  0.938  0.562  1.0
[/CIF]
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