The crystal structure described by BaSrLuBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. Lu(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 LuO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. 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 Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. 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 Lu(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Lu(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Lu(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 Lu(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Lu(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Lu(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_BaSrLuBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.026
_cell_length_b   6.026
_cell_length_c   10.441
_cell_angle_alpha   54.695
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.401
_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  0.265  0.253  0.250  1.0
  Ba  Ba1  1  0.735  0.253  0.750  1.0
  Sr  Sr2  1  0.226  0.743  0.750  1.0
  Sr  Sr3  1  0.774  0.743  0.250  1.0
  Lu  Lu4  1  0.749  0.500  0.000  1.0
  Lu  Lu5  1  0.251  0.500  0.500  1.0
  Bi  Bi6  1  0.749  0.000  0.500  1.0
  Bi  Bi7  1  0.251  0.000  1.000  1.0
  O  O8  1  0.536  0.319  0.461  1.0
  O  O9  1  0.464  0.319  0.961  1.0
  O  O10  1  0.977  0.702  0.531  1.0
  O  O11  1  0.023  0.702  0.031  1.0
  O  O12  1  0.766  0.806  0.747  1.0
  O  O13  1  0.234  0.806  0.247  1.0
  O  O14  1  0.741  0.172  0.254  1.0
  O  O15  1  0.259  0.172  0.754  1.0
  O  O16  1  0.020  0.255  0.470  1.0
  O  O17  1  0.980  0.255  0.970  1.0
  O  O18  1  0.469  0.750  0.538  1.0
  O  O19  1  0.531  0.750  0.038  1.0
[/CIF]
.
The crystal structure described by BaSrLuBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. Lu(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 LuO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. 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 Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. 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 Lu(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Lu(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Lu(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 Lu(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Lu(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Lu(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_BaSrLuBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.026
_cell_length_b   6.026
_cell_length_c   10.441
_cell_angle_alpha   54.695
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.401
_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  0.265  0.253  0.250  1.0
  Ba  Ba1  1  0.735  0.253  0.750  1.0
  Sr  Sr2  1  0.226  0.743  0.750  1.0
  Sr  Sr3  1  0.774  0.743  0.250  1.0
  Lu  Lu4  1  0.749  0.500  0.000  1.0
  Lu  Lu5  1  0.251  0.500  0.500  1.0
  Bi  Bi6  1  0.749  0.000  0.500  1.0
  Bi  Bi7  1  0.251  0.000  1.000  1.0
  O  O8  1  0.536  0.319  0.461  1.0
  O  O9  1  0.464  0.319  0.961  1.0
  O  O10  1  0.977  0.702  0.531  1.0
  O  O11  1  0.023  0.702  0.031  1.0
  O  O12  1  0.766  0.806  0.747  1.0
  O  O13  1  0.234  0.806  0.247  1.0
  O  O14  1  0.741  0.172  0.254  1.0
  O  O15  1  0.259  0.172  0.754  1.0
  O  O16  1  0.020  0.255  0.470  1.0
  O  O17  1  0.980  0.255  0.970  1.0
  O  O18  1  0.469  0.750  0.538  1.0
  O  O19  1  0.531  0.750  0.038  1.0
[/CIF]
.