The crystal structure described by BaSrLaBiO6 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. Sr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SrO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. La(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_BaSrLaBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.321
_cell_length_c   8.776
_cell_angle_alpha   90.001
_cell_angle_beta   89.468
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.861
_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  0.994  0.034  0.247  1.0
  Ba  Ba1  1  0.494  0.466  0.747  1.0
  Sr  Sr2  1  0.503  0.015  0.997  1.0
  Sr  Sr3  1  0.003  0.485  0.497  1.0
  La  La4  1  0.524  0.562  0.248  1.0
  La  La5  1  0.024  0.938  0.748  1.0
  Bi  Bi6  1  0.001  0.501  0.001  1.0
  Bi  Bi7  1  0.501  0.999  0.501  1.0
  O  O8  1  0.151  0.204  0.934  1.0
  O  O9  1  0.297  0.735  0.567  1.0
  O  O10  1  0.797  0.765  0.067  1.0
  O  O11  1  0.651  0.296  0.434  1.0
  O  O12  1  0.266  0.711  0.948  1.0
  O  O13  1  0.207  0.166  0.565  1.0
  O  O14  1  0.707  0.334  0.065  1.0
  O  O15  1  0.766  0.789  0.448  1.0
  O  O16  1  0.413  0.936  0.267  1.0
  O  O17  1  0.143  0.464  0.226  1.0
  O  O18  1  0.643  0.036  0.726  1.0
  O  O19  1  0.913  0.564  0.767  1.0
[/CIF]
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The crystal structure described by BaSrLaBiO6 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. Sr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SrO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. La(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Sr(1), one La(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_BaSrLaBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.321
_cell_length_c   8.776
_cell_angle_alpha   90.001
_cell_angle_beta   89.468
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.861
_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  0.994  0.034  0.247  1.0
  Ba  Ba1  1  0.494  0.466  0.747  1.0
  Sr  Sr2  1  0.503  0.015  0.997  1.0
  Sr  Sr3  1  0.003  0.485  0.497  1.0
  La  La4  1  0.524  0.562  0.248  1.0
  La  La5  1  0.024  0.938  0.748  1.0
  Bi  Bi6  1  0.001  0.501  0.001  1.0
  Bi  Bi7  1  0.501  0.999  0.501  1.0
  O  O8  1  0.151  0.204  0.934  1.0
  O  O9  1  0.297  0.735  0.567  1.0
  O  O10  1  0.797  0.765  0.067  1.0
  O  O11  1  0.651  0.296  0.434  1.0
  O  O12  1  0.266  0.711  0.948  1.0
  O  O13  1  0.207  0.166  0.565  1.0
  O  O14  1  0.707  0.334  0.065  1.0
  O  O15  1  0.766  0.789  0.448  1.0
  O  O16  1  0.413  0.936  0.267  1.0
  O  O17  1  0.143  0.464  0.226  1.0
  O  O18  1  0.643  0.036  0.726  1.0
  O  O19  1  0.913  0.564  0.767  1.0
[/CIF]
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