The material described by BaSrLaBiO6 crystallizes in the tetragonal I-4 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 0-40°. 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 0-40°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), one Sr(1), two equivalent La(1), and one Bi(1) atom. 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 a mixture of distorted corner and edge-sharing OBaSrLaBi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrLaBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.167
_cell_length_b   6.230
_cell_length_c   6.167
_cell_angle_alpha   60.336
_cell_angle_beta   90.000
_cell_angle_gamma   119.664
_symmetry_Int_Tables_number   1
_cell_volume   169.242
_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  0.500  0.750  1.0
  Sr  Sr1  1  0.500  0.000  0.500  1.0
  La  La2  1  0.250  0.500  0.250  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.762  0.525  0.238  1.0
  O  O5  1  0.238  0.475  0.762  1.0
  O  O6  1  0.883  0.057  0.656  1.0
  O  O7  1  0.174  0.057  0.286  1.0
  O  O8  1  0.286  0.943  0.883  1.0
  O  O9  1  0.656  0.943  0.174  1.0
[/CIF]
.
The material described by BaSrLaBiO6 crystallizes in the tetragonal I-4 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 0-40°. 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 0-40°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), one Sr(1), two equivalent La(1), and one Bi(1) atom. 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 a mixture of distorted corner and edge-sharing OBaSrLaBi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrLaBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.167
_cell_length_b   6.230
_cell_length_c   6.167
_cell_angle_alpha   60.336
_cell_angle_beta   90.000
_cell_angle_gamma   119.664
_symmetry_Int_Tables_number   1
_cell_volume   169.242
_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  0.500  0.750  1.0
  Sr  Sr1  1  0.500  0.000  0.500  1.0
  La  La2  1  0.250  0.500  0.250  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.762  0.525  0.238  1.0
  O  O5  1  0.238  0.475  0.762  1.0
  O  O6  1  0.883  0.057  0.656  1.0
  O  O7  1  0.174  0.057  0.286  1.0
  O  O8  1  0.286  0.943  0.883  1.0
  O  O9  1  0.656  0.943  0.174  1.0
[/CIF]
.