The compound described by BaSrLaBiO6 crystallizes in the tetragonal P-4n2 space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Sr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SrO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Sr(1), two equivalent La(1), and one Bi(1) atom to form distorted OBa2SrLa2Bi octahedra that share corners with six equivalent O(1)Ba2SrLa2Bi octahedra, corners with eight equivalent O(2)BaSrLaBi tetrahedra, edges with four equivalent O(1)Ba2SrLa2Bi octahedra, and edges with eight equivalent O(2)BaSrLaBi tetrahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom to form distorted OBaSrLaBi tetrahedra that share corners with four equivalent O(1)Ba2SrLa2Bi octahedra, corners with ten equivalent O(2)BaSrLaBi tetrahedra, edges with four equivalent O(1)Ba2SrLa2Bi octahedra, and  an edgeedge with one O(2)BaSrLaBi tetrahedra. The corner-sharing octahedral tilt angles range from 64-70°. is represented by the CIF file [CIF]
data_BaSrLaBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   6.148
_cell_length_c   8.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.785
_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  0.000  0.500  0.250  1.0
  Ba  Ba1  1  0.500  0.000  0.750  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.000  1.0
  La  La4  1  0.500  0.000  0.250  1.0
  La  La5  1  0.000  0.500  0.750  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.000  0.000  0.237  1.0
  O  O9  1  0.500  0.500  0.263  1.0
  O  O10  1  0.000  0.000  0.763  1.0
  O  O11  1  0.500  0.500  0.737  1.0
  O  O12  1  0.314  0.146  0.028  1.0
  O  O13  1  0.686  0.854  0.028  1.0
  O  O14  1  0.854  0.314  0.972  1.0
  O  O15  1  0.146  0.686  0.972  1.0
  O  O16  1  0.814  0.354  0.528  1.0
  O  O17  1  0.186  0.646  0.528  1.0
  O  O18  1  0.354  0.186  0.472  1.0
  O  O19  1  0.646  0.814  0.472  1.0
[/CIF]
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The compound described by BaSrLaBiO6 crystallizes in the tetragonal P-4n2 space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Sr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SrO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Sr(1), two equivalent La(1), and one Bi(1) atom to form distorted OBa2SrLa2Bi octahedra that share corners with six equivalent O(1)Ba2SrLa2Bi octahedra, corners with eight equivalent O(2)BaSrLaBi tetrahedra, edges with four equivalent O(1)Ba2SrLa2Bi octahedra, and edges with eight equivalent O(2)BaSrLaBi tetrahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom to form distorted OBaSrLaBi tetrahedra that share corners with four equivalent O(1)Ba2SrLa2Bi octahedra, corners with ten equivalent O(2)BaSrLaBi tetrahedra, edges with four equivalent O(1)Ba2SrLa2Bi octahedra, and  an edgeedge with one O(2)BaSrLaBi tetrahedra. The corner-sharing octahedral tilt angles range from 64-70°. is represented by the CIF file [CIF]
data_BaSrLaBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   6.148
_cell_length_c   8.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.785
_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  0.000  0.500  0.250  1.0
  Ba  Ba1  1  0.500  0.000  0.750  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.000  1.0
  La  La4  1  0.500  0.000  0.250  1.0
  La  La5  1  0.000  0.500  0.750  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.000  0.000  0.237  1.0
  O  O9  1  0.500  0.500  0.263  1.0
  O  O10  1  0.000  0.000  0.763  1.0
  O  O11  1  0.500  0.500  0.737  1.0
  O  O12  1  0.314  0.146  0.028  1.0
  O  O13  1  0.686  0.854  0.028  1.0
  O  O14  1  0.854  0.314  0.972  1.0
  O  O15  1  0.146  0.686  0.972  1.0
  O  O16  1  0.814  0.354  0.528  1.0
  O  O17  1  0.186  0.646  0.528  1.0
  O  O18  1  0.354  0.186  0.472  1.0
  O  O19  1  0.646  0.814  0.472  1.0
[/CIF]
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