The structure described by BaBiO3 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Ba(2), and one Bi(2) atom to form distorted OBa3Bi tetrahedra that share corners with two equivalent O(1)Ba3Bi tetrahedra,  a cornercorner with one O(4)Ba2BiO trigonal pyramid, and  an edgeedge with one O(4)Ba2BiO trigonal pyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Bi(2), and one O(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), one Bi(1), and one O(4) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Bi(1), and one O(3) atom to form a mixture of distorted corner and edge-sharing OBa2BiO trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Bi(2), and one O(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Bi(1), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.788
_cell_length_b   4.244
_cell_length_c   7.686
_cell_angle_alpha   119.853
_cell_angle_beta   144.659
_cell_angle_gamma   62.144
_symmetry_Int_Tables_number   1
_cell_volume   207.725
_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  0.308  0.887  0.014  1.0
  Ba  Ba1  1  0.644  0.978  0.970  1.0
  Bi  Bi2  1  0.098  0.618  0.237  1.0
  Bi  Bi3  1  0.803  0.961  0.643  1.0
  O  O4  1  0.614  0.709  0.176  1.0
  O  O5  1  0.566  0.423  0.484  1.0
  O  O6  1  0.179  0.185  0.584  1.0
  O  O7  1  0.281  0.299  0.596  1.0
  O  O8  1  0.556  0.273  0.610  1.0
  O  O9  1  0.949  0.167  0.686  1.0
[/CIF]
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The structure described by BaBiO3 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Ba(2), and one Bi(2) atom to form distorted OBa3Bi tetrahedra that share corners with two equivalent O(1)Ba3Bi tetrahedra,  a cornercorner with one O(4)Ba2BiO trigonal pyramid, and  an edgeedge with one O(4)Ba2BiO trigonal pyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Bi(2), and one O(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), one Bi(1), and one O(4) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Bi(1), and one O(3) atom to form a mixture of distorted corner and edge-sharing OBa2BiO trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Bi(2), and one O(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Bi(1), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.788
_cell_length_b   4.244
_cell_length_c   7.686
_cell_angle_alpha   119.853
_cell_angle_beta   144.659
_cell_angle_gamma   62.144
_symmetry_Int_Tables_number   1
_cell_volume   207.725
_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  0.308  0.887  0.014  1.0
  Ba  Ba1  1  0.644  0.978  0.970  1.0
  Bi  Bi2  1  0.098  0.618  0.237  1.0
  Bi  Bi3  1  0.803  0.961  0.643  1.0
  O  O4  1  0.614  0.709  0.176  1.0
  O  O5  1  0.566  0.423  0.484  1.0
  O  O6  1  0.179  0.185  0.584  1.0
  O  O7  1  0.281  0.299  0.596  1.0
  O  O8  1  0.556  0.273  0.610  1.0
  O  O9  1  0.949  0.167  0.686  1.0
[/CIF]
.