The compound described by BaTbO3 crystallizes in the tetragonal I4/mcm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Tb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Tb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.284
_cell_length_b   6.284
_cell_length_c   6.284
_cell_angle_alpha   120.580
_cell_angle_beta   120.580
_cell_angle_gamma   88.999
_symmetry_Int_Tables_number   1
_cell_volume   173.930
_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  0.750  0.250  0.500  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.000  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.691  0.191  0.883  1.0
  O  O5  1  0.191  0.309  0.500  1.0
  O  O6  1  0.809  0.691  0.500  1.0
  O  O7  1  0.309  0.809  0.117  1.0
  O  O8  1  0.750  0.750  0.000  1.0
  O  O9  1  0.250  0.250  0.000  1.0
[/CIF]
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The compound described by BaTbO3 crystallizes in the tetragonal I4/mcm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Tb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Tb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.284
_cell_length_b   6.284
_cell_length_c   6.284
_cell_angle_alpha   120.580
_cell_angle_beta   120.580
_cell_angle_gamma   88.999
_symmetry_Int_Tables_number   1
_cell_volume   173.930
_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  0.750  0.250  0.500  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.000  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.691  0.191  0.883  1.0
  O  O5  1  0.191  0.309  0.500  1.0
  O  O6  1  0.809  0.691  0.500  1.0
  O  O7  1  0.309  0.809  0.117  1.0
  O  O8  1  0.750  0.750  0.000  1.0
  O  O9  1  0.250  0.250  0.000  1.0
[/CIF]
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