The material described by Ba2TbBiO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(2) and eight equivalent O(1) atoms. Tb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Tb(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to four equivalent Ba(1), one Tb(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2TbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.161
_cell_length_b   6.161
_cell_length_c   6.191
_cell_angle_alpha   59.958
_cell_angle_beta   59.958
_cell_angle_gamma   60.049
_symmetry_Int_Tables_number   1
_cell_volume   166.104
_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  0.751  0.751  0.246  1.0
  Ba  Ba1  1  0.249  0.249  0.754  1.0
  Tb  Tb2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.716  0.227  0.786  1.0
  O  O5  1  0.773  0.284  0.214  1.0
  O  O6  1  0.227  0.716  0.786  1.0
  O  O7  1  0.743  0.743  0.704  1.0
  O  O8  1  0.257  0.257  0.296  1.0
  O  O9  1  0.284  0.773  0.214  1.0
[/CIF]
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The material described by Ba2TbBiO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(2) and eight equivalent O(1) atoms. Tb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Tb(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to four equivalent Ba(1), one Tb(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2TbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.161
_cell_length_b   6.161
_cell_length_c   6.191
_cell_angle_alpha   59.958
_cell_angle_beta   59.958
_cell_angle_gamma   60.049
_symmetry_Int_Tables_number   1
_cell_volume   166.104
_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  0.751  0.751  0.246  1.0
  Ba  Ba1  1  0.249  0.249  0.754  1.0
  Tb  Tb2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.716  0.227  0.786  1.0
  O  O5  1  0.773  0.284  0.214  1.0
  O  O6  1  0.227  0.716  0.786  1.0
  O  O7  1  0.743  0.743  0.704  1.0
  O  O8  1  0.257  0.257  0.296  1.0
  O  O9  1  0.284  0.773  0.214  1.0
[/CIF]
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