The material described by Ba2BiTaO6 is Krennerite-derived structured and crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one Ta(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ba2TaBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.097
_cell_length_b   6.097
_cell_length_c   6.097
_cell_angle_alpha   60.587
_cell_angle_beta   60.587
_cell_angle_gamma   60.587
_symmetry_Int_Tables_number   1
_cell_volume   162.408
_cell_formula_units_Z   1
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  0.749  0.749  0.749  1.0
  Ba  Ba1  1  0.251  0.251  0.251  1.0
  Ta  Ta2  1  0.500  0.500  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.726  0.219  0.322  1.0
  O  O5  1  0.219  0.322  0.726  1.0
  O  O6  1  0.322  0.726  0.219  1.0
  O  O7  1  0.274  0.781  0.678  1.0
  O  O8  1  0.678  0.274  0.781  1.0
  O  O9  1  0.781  0.678  0.274  1.0
[/CIF]
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The material described by Ba2BiTaO6 is Krennerite-derived structured and crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one Ta(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ba2TaBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.097
_cell_length_b   6.097
_cell_length_c   6.097
_cell_angle_alpha   60.587
_cell_angle_beta   60.587
_cell_angle_gamma   60.587
_symmetry_Int_Tables_number   1
_cell_volume   162.408
_cell_formula_units_Z   1
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  0.749  0.749  0.749  1.0
  Ba  Ba1  1  0.251  0.251  0.251  1.0
  Ta  Ta2  1  0.500  0.500  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.726  0.219  0.322  1.0
  O  O5  1  0.219  0.322  0.726  1.0
  O  O6  1  0.322  0.726  0.219  1.0
  O  O7  1  0.274  0.781  0.678  1.0
  O  O8  1  0.678  0.274  0.781  1.0
  O  O9  1  0.781  0.678  0.274  1.0
[/CIF]
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