The crystal structure described by Ba6Lu2(WO6)3 crystallizes in the trigonal R-3m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra, faces with three equivalent W(2)O6 octahedra, and faces with four equivalent Lu(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(2) and nine equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra, faces with three equivalent Lu(1)O6 octahedra, and faces with three equivalent W(1)O6 octahedra. Lu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LuO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are two inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Lu(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. In the second W site, W(2) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(1), one Lu(1), and one W(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Lu(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(3), three equivalent Ba(2), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba6Lu2(WO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.842
_cell_length_b   14.842
_cell_length_c   14.842
_cell_angle_alpha   23.025
_cell_angle_beta   23.025
_cell_angle_gamma   23.025
_symmetry_Int_Tables_number   1
_cell_volume   439.033
_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  0.637  0.637  0.637  1.0
  Ba  Ba1  1  0.363  0.363  0.363  1.0
  Ba  Ba2  1  0.813  0.813  0.813  1.0
  Ba  Ba3  1  0.187  0.187  0.187  1.0
  Ba  Ba4  1  0.912  0.912  0.912  1.0
  Ba  Ba5  1  0.088  0.088  0.088  1.0
  Lu  Lu6  1  0.724  0.724  0.724  1.0
  Lu  Lu7  1  0.276  0.276  0.276  1.0
  W  W8  1  0.553  0.553  0.553  1.0
  W  W9  1  0.447  0.447  0.447  1.0
  W  W10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.131  0.131  0.660  1.0
  O  O12  1  0.660  0.131  0.131  1.0
  O  O13  1  0.131  0.660  0.131  1.0
  O  O14  1  0.869  0.340  0.869  1.0
  O  O15  1  0.869  0.869  0.340  1.0
  O  O16  1  0.340  0.869  0.869  1.0
  O  O17  1  0.573  0.573  0.105  1.0
  O  O18  1  0.105  0.573  0.573  1.0
  O  O19  1  0.573  0.105  0.573  1.0
  O  O20  1  0.427  0.895  0.427  1.0
  O  O21  1  0.427  0.427  0.895  1.0
  O  O22  1  0.787  0.310  0.310  1.0
  O  O23  1  0.310  0.310  0.787  1.0
  O  O24  1  0.310  0.787  0.310  1.0
  O  O25  1  0.690  0.213  0.690  1.0
  O  O26  1  0.213  0.690  0.690  1.0
  O  O27  1  0.690  0.690  0.213  1.0
  O  O28  1  0.895  0.427  0.427  1.0
[/CIF]
.
The crystal structure described by Ba6Lu2(WO6)3 crystallizes in the trigonal R-3m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra, faces with three equivalent W(2)O6 octahedra, and faces with four equivalent Lu(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(2) and nine equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra, faces with three equivalent Lu(1)O6 octahedra, and faces with three equivalent W(1)O6 octahedra. Lu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LuO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are two inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Lu(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. In the second W site, W(2) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(1), one Lu(1), and one W(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Lu(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(3), three equivalent Ba(2), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba6Lu2(WO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.842
_cell_length_b   14.842
_cell_length_c   14.842
_cell_angle_alpha   23.025
_cell_angle_beta   23.025
_cell_angle_gamma   23.025
_symmetry_Int_Tables_number   1
_cell_volume   439.033
_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  0.637  0.637  0.637  1.0
  Ba  Ba1  1  0.363  0.363  0.363  1.0
  Ba  Ba2  1  0.813  0.813  0.813  1.0
  Ba  Ba3  1  0.187  0.187  0.187  1.0
  Ba  Ba4  1  0.912  0.912  0.912  1.0
  Ba  Ba5  1  0.088  0.088  0.088  1.0
  Lu  Lu6  1  0.724  0.724  0.724  1.0
  Lu  Lu7  1  0.276  0.276  0.276  1.0
  W  W8  1  0.553  0.553  0.553  1.0
  W  W9  1  0.447  0.447  0.447  1.0
  W  W10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.131  0.131  0.660  1.0
  O  O12  1  0.660  0.131  0.131  1.0
  O  O13  1  0.131  0.660  0.131  1.0
  O  O14  1  0.869  0.340  0.869  1.0
  O  O15  1  0.869  0.869  0.340  1.0
  O  O16  1  0.340  0.869  0.869  1.0
  O  O17  1  0.573  0.573  0.105  1.0
  O  O18  1  0.105  0.573  0.573  1.0
  O  O19  1  0.573  0.105  0.573  1.0
  O  O20  1  0.427  0.895  0.427  1.0
  O  O21  1  0.427  0.427  0.895  1.0
  O  O22  1  0.787  0.310  0.310  1.0
  O  O23  1  0.310  0.310  0.787  1.0
  O  O24  1  0.310  0.787  0.310  1.0
  O  O25  1  0.690  0.213  0.690  1.0
  O  O26  1  0.213  0.690  0.690  1.0
  O  O27  1  0.690  0.690  0.213  1.0
  O  O28  1  0.895  0.427  0.427  1.0
[/CIF]
.