The compound described by Ba2BiInO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, faces with four equivalent In(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent In(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent In(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one In(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba2InBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.618
_cell_length_b   8.618
_cell_length_c   8.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.981
_cell_formula_units_Z   4
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  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.500  0.000  1.0
  Ba  Ba4  1  0.500  0.000  0.000  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.000  0.500  1.0
  Ba  Ba7  1  0.000  0.500  0.500  1.0
  In  In8  1  0.250  0.250  0.250  1.0
  In  In9  1  0.250  0.750  0.750  1.0
  In  In10  1  0.750  0.250  0.750  1.0
  In  In11  1  0.750  0.750  0.250  1.0
  Bi  Bi12  1  0.750  0.750  0.750  1.0
  Bi  Bi13  1  0.750  0.250  0.250  1.0
  Bi  Bi14  1  0.250  0.750  0.250  1.0
  Bi  Bi15  1  0.250  0.250  0.750  1.0
  O  O16  1  0.229  0.274  0.502  1.0
  O  O17  1  0.229  0.726  0.498  1.0
  O  O18  1  0.771  0.274  0.498  1.0
  O  O19  1  0.771  0.726  0.502  1.0
  O  O20  1  0.274  0.502  0.229  1.0
  O  O21  1  0.726  0.498  0.229  1.0
  O  O22  1  0.274  0.498  0.771  1.0
  O  O23  1  0.726  0.502  0.771  1.0
  O  O24  1  0.502  0.229  0.274  1.0
  O  O25  1  0.498  0.229  0.726  1.0
  O  O26  1  0.498  0.771  0.274  1.0
  O  O27  1  0.502  0.771  0.726  1.0
  O  O28  1  0.271  0.226  0.998  1.0
  O  O29  1  0.271  0.774  0.002  1.0
  O  O30  1  0.729  0.226  0.002  1.0
  O  O31  1  0.729  0.774  0.998  1.0
  O  O32  1  0.226  0.998  0.271  1.0
  O  O33  1  0.774  0.002  0.271  1.0
  O  O34  1  0.226  0.002  0.729  1.0
  O  O35  1  0.774  0.998  0.729  1.0
  O  O36  1  0.998  0.271  0.226  1.0
  O  O37  1  0.002  0.271  0.774  1.0
  O  O38  1  0.002  0.729  0.226  1.0
  O  O39  1  0.998  0.729  0.774  1.0
[/CIF]
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The compound described by Ba2BiInO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, faces with four equivalent In(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent In(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent In(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one In(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba2InBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.618
_cell_length_b   8.618
_cell_length_c   8.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.981
_cell_formula_units_Z   4
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  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.500  0.000  1.0
  Ba  Ba4  1  0.500  0.000  0.000  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.000  0.500  1.0
  Ba  Ba7  1  0.000  0.500  0.500  1.0
  In  In8  1  0.250  0.250  0.250  1.0
  In  In9  1  0.250  0.750  0.750  1.0
  In  In10  1  0.750  0.250  0.750  1.0
  In  In11  1  0.750  0.750  0.250  1.0
  Bi  Bi12  1  0.750  0.750  0.750  1.0
  Bi  Bi13  1  0.750  0.250  0.250  1.0
  Bi  Bi14  1  0.250  0.750  0.250  1.0
  Bi  Bi15  1  0.250  0.250  0.750  1.0
  O  O16  1  0.229  0.274  0.502  1.0
  O  O17  1  0.229  0.726  0.498  1.0
  O  O18  1  0.771  0.274  0.498  1.0
  O  O19  1  0.771  0.726  0.502  1.0
  O  O20  1  0.274  0.502  0.229  1.0
  O  O21  1  0.726  0.498  0.229  1.0
  O  O22  1  0.274  0.498  0.771  1.0
  O  O23  1  0.726  0.502  0.771  1.0
  O  O24  1  0.502  0.229  0.274  1.0
  O  O25  1  0.498  0.229  0.726  1.0
  O  O26  1  0.498  0.771  0.274  1.0
  O  O27  1  0.502  0.771  0.726  1.0
  O  O28  1  0.271  0.226  0.998  1.0
  O  O29  1  0.271  0.774  0.002  1.0
  O  O30  1  0.729  0.226  0.002  1.0
  O  O31  1  0.729  0.774  0.998  1.0
  O  O32  1  0.226  0.998  0.271  1.0
  O  O33  1  0.774  0.002  0.271  1.0
  O  O34  1  0.226  0.002  0.729  1.0
  O  O35  1  0.774  0.998  0.729  1.0
  O  O36  1  0.998  0.271  0.226  1.0
  O  O37  1  0.002  0.271  0.774  1.0
  O  O38  1  0.002  0.729  0.226  1.0
  O  O39  1  0.998  0.729  0.774  1.0
[/CIF]
.