The material structure described by Ba3SrLu2(BiO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(2) and eight equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Lu(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(2) and eight equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with eight equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Lu(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to four equivalent O(1) and eight equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Lu(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Lu(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Lu(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form LuO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Bi(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(3), two equivalent Sr(1), one Lu(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Lu(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Ba(3), one Sr(1), one Lu(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3SrLu2(BiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.067
_cell_length_b   6.067
_cell_length_c   8.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.637
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
  Lu  Lu4  1  0.500  0.000  0.749  1.0
  Lu  Lu5  1  0.000  0.500  0.251  1.0
  Bi  Bi6  1  0.500  0.000  0.251  1.0
  Bi  Bi7  1  0.000  0.500  0.749  1.0
  O  O8  1  0.500  0.000  0.497  1.0
  O  O9  1  0.000  0.500  0.997  1.0
  O  O10  1  0.746  0.752  0.251  1.0
  O  O11  1  0.248  0.254  0.749  1.0
  O  O12  1  0.254  0.752  0.251  1.0
  O  O13  1  0.752  0.254  0.749  1.0
  O  O14  1  0.500  0.000  0.003  1.0
  O  O15  1  0.000  0.500  0.503  1.0
  O  O16  1  0.254  0.248  0.251  1.0
  O  O17  1  0.752  0.746  0.749  1.0
  O  O18  1  0.746  0.248  0.251  1.0
  O  O19  1  0.248  0.746  0.749  1.0
[/CIF]
.
The material structure described by Ba3SrLu2(BiO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(2) and eight equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Lu(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(2) and eight equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with eight equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Lu(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to four equivalent O(1) and eight equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Lu(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Lu(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Lu(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form LuO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Bi(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(3), two equivalent Sr(1), one Lu(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Lu(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Ba(3), one Sr(1), one Lu(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3SrLu2(BiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.067
_cell_length_b   6.067
_cell_length_c   8.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.637
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
  Lu  Lu4  1  0.500  0.000  0.749  1.0
  Lu  Lu5  1  0.000  0.500  0.251  1.0
  Bi  Bi6  1  0.500  0.000  0.251  1.0
  Bi  Bi7  1  0.000  0.500  0.749  1.0
  O  O8  1  0.500  0.000  0.497  1.0
  O  O9  1  0.000  0.500  0.997  1.0
  O  O10  1  0.746  0.752  0.251  1.0
  O  O11  1  0.248  0.254  0.749  1.0
  O  O12  1  0.254  0.752  0.251  1.0
  O  O13  1  0.752  0.254  0.749  1.0
  O  O14  1  0.500  0.000  0.003  1.0
  O  O15  1  0.000  0.500  0.503  1.0
  O  O16  1  0.254  0.248  0.251  1.0
  O  O17  1  0.752  0.746  0.749  1.0
  O  O18  1  0.746  0.248  0.251  1.0
  O  O19  1  0.248  0.746  0.749  1.0
[/CIF]
.