The structure described by Ba4Bi2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4mm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted linear geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Bi(1), four equivalent Bi(2), and one O(1) atom. In the third Ba site, Ba(3) is bonded to one Bi(2) and four equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing BaBi5 square pyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Ba(2), four equivalent Ba(1), and four equivalent Ba(3) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Ba(3), four equivalent Ba(1), and four equivalent Ba(2) atoms. O(1) is bonded to one Ba(2) and four equivalent Ba(1) atoms to form corner-sharing OBa5 square pyramids. is represented by the CIF file [CIF]
data_Ba4Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.223
_cell_length_b   10.223
_cell_length_c   10.223
_cell_angle_alpha   149.793
_cell_angle_beta   149.793
_cell_angle_gamma   43.245
_symmetry_Int_Tables_number   1
_cell_volume   269.716
_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  0.997  0.497  0.500  1.0
  Ba  Ba1  1  0.497  0.997  0.500  1.0
  Ba  Ba2  1  0.834  0.834  0.000  1.0
  Ba  Ba3  1  0.179  0.179  0.000  1.0
  Bi  Bi4  1  0.636  0.636  0.000  1.0
  Bi  Bi5  1  0.362  0.362  0.000  1.0
  O  O6  1  0.977  0.977  0.000  1.0
[/CIF]
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The structure described by Ba4Bi2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4mm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted linear geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Bi(1), four equivalent Bi(2), and one O(1) atom. In the third Ba site, Ba(3) is bonded to one Bi(2) and four equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing BaBi5 square pyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Ba(2), four equivalent Ba(1), and four equivalent Ba(3) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Ba(3), four equivalent Ba(1), and four equivalent Ba(2) atoms. O(1) is bonded to one Ba(2) and four equivalent Ba(1) atoms to form corner-sharing OBa5 square pyramids. is represented by the CIF file [CIF]
data_Ba4Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.223
_cell_length_b   10.223
_cell_length_c   10.223
_cell_angle_alpha   149.793
_cell_angle_beta   149.793
_cell_angle_gamma   43.245
_symmetry_Int_Tables_number   1
_cell_volume   269.716
_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  0.997  0.497  0.500  1.0
  Ba  Ba1  1  0.497  0.997  0.500  1.0
  Ba  Ba2  1  0.834  0.834  0.000  1.0
  Ba  Ba3  1  0.179  0.179  0.000  1.0
  Bi  Bi4  1  0.636  0.636  0.000  1.0
  Bi  Bi5  1  0.362  0.362  0.000  1.0
  O  O6  1  0.977  0.977  0.000  1.0
[/CIF]
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