The crystal structure described by Ba2YbBiO6 crystallizes in the trigonal R-3 space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Yb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Yb(1) is bonded to six equivalent O(1) atoms to form YbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Yb(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.158
_cell_length_c   6.158
_cell_angle_alpha   60.260
_cell_angle_beta   60.260
_cell_angle_gamma   60.260
_symmetry_Int_Tables_number   1
_cell_volume   166.085
_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  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Yb  Yb2  1  0.500  0.500  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.791  0.724  0.242  1.0
  O  O5  1  0.209  0.276  0.758  1.0
  O  O6  1  0.724  0.242  0.791  1.0
  O  O7  1  0.242  0.791  0.724  1.0
  O  O8  1  0.276  0.758  0.209  1.0
  O  O9  1  0.758  0.209  0.276  1.0
[/CIF]
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The crystal structure described by Ba2YbBiO6 crystallizes in the trigonal R-3 space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Yb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Yb(1) is bonded to six equivalent O(1) atoms to form YbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Yb(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.158
_cell_length_c   6.158
_cell_angle_alpha   60.260
_cell_angle_beta   60.260
_cell_angle_gamma   60.260
_symmetry_Int_Tables_number   1
_cell_volume   166.085
_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  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Yb  Yb2  1  0.500  0.500  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.791  0.724  0.242  1.0
  O  O5  1  0.209  0.276  0.758  1.0
  O  O6  1  0.724  0.242  0.791  1.0
  O  O7  1  0.242  0.791  0.724  1.0
  O  O8  1  0.276  0.758  0.209  1.0
  O  O9  1  0.758  0.209  0.276  1.0
[/CIF]
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