The material described by Ba2YbBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Yb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-25°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Yb(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Yb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Yb(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ba2YbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.361
_cell_length_b   8.622
_cell_length_c   6.077
_cell_angle_alpha   133.190
_cell_angle_beta   147.957
_cell_angle_gamma   35.386
_symmetry_Int_Tables_number   1
_cell_volume   166.752
_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  0.510  0.745  0.019  1.0
  Ba  Ba1  1  0.490  0.255  0.981  1.0
  Yb  Yb2  1  0.000  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.923  0.773  0.871  1.0
  O  O5  1  0.485  0.680  0.399  1.0
  O  O6  1  0.934  0.825  0.457  1.0
  O  O7  1  0.077  0.227  0.129  1.0
  O  O8  1  0.515  0.320  0.601  1.0
  O  O9  1  0.066  0.175  0.543  1.0
[/CIF]
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The material described by Ba2YbBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Yb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-25°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Yb(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Yb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Yb(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ba2YbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.361
_cell_length_b   8.622
_cell_length_c   6.077
_cell_angle_alpha   133.190
_cell_angle_beta   147.957
_cell_angle_gamma   35.386
_symmetry_Int_Tables_number   1
_cell_volume   166.752
_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  0.510  0.745  0.019  1.0
  Ba  Ba1  1  0.490  0.255  0.981  1.0
  Yb  Yb2  1  0.000  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.923  0.773  0.871  1.0
  O  O5  1  0.485  0.680  0.399  1.0
  O  O6  1  0.934  0.825  0.457  1.0
  O  O7  1  0.077  0.227  0.129  1.0
  O  O8  1  0.515  0.320  0.601  1.0
  O  O9  1  0.066  0.175  0.543  1.0
[/CIF]
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