The compound described by Ba3NiSb2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six 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, corners with three equivalent Ni(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ni(1)O6 octahedra, faces with three equivalent Sb(1)O6 octahedra, and faces with three equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), and six 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 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, faces with two equivalent Sb(1)O6 octahedra, faces with three equivalent Ni(1)O6 octahedra, and faces with three equivalent Sb(2)O6 octahedra. Ni(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Sb(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Sb site, Sb(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SbO6 octahedra that share corners with three equivalent Sb(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ni(1)O6 octahedra. 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(2), one Ba(3), two equivalent Ba(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Ni(1), and one Sb(2) atom to form a mixture of distorted corner and face-sharing OBa4NiSb octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ni(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Ba3NiSb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   5.879
_cell_length_c   14.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   434.606
_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  0.333  0.667  0.090  1.0
  Ba  Ba1  1  0.667  0.333  0.590  1.0
  Ba  Ba2  1  0.333  0.667  0.394  1.0
  Ba  Ba3  1  0.667  0.333  0.894  1.0
  Ba  Ba4  1  0.000  0.000  0.256  1.0
  Ba  Ba5  1  0.000  0.000  0.756  1.0
  Ni  Ni6  1  0.667  0.333  0.350  1.0
  Ni  Ni7  1  0.333  0.667  0.850  1.0
  O  O8  1  0.165  0.330  0.585  1.0
  O  O9  1  0.330  0.165  0.085  1.0
  O  O10  1  0.835  0.165  0.085  1.0
  O  O11  1  0.165  0.835  0.585  1.0
  O  O12  1  0.670  0.835  0.585  1.0
  O  O13  1  0.835  0.670  0.085  1.0
  O  O14  1  0.489  0.977  0.747  1.0
  O  O15  1  0.977  0.489  0.247  1.0
  O  O16  1  0.511  0.489  0.247  1.0
  O  O17  1  0.489  0.511  0.747  1.0
  O  O18  1  0.023  0.511  0.747  1.0
  O  O19  1  0.511  0.023  0.247  1.0
  O  O20  1  0.839  0.677  0.424  1.0
  O  O21  1  0.677  0.839  0.924  1.0
  O  O22  1  0.161  0.839  0.924  1.0
  O  O23  1  0.839  0.161  0.424  1.0
  O  O24  1  0.323  0.161  0.424  1.0
  O  O25  1  0.161  0.323  0.924  1.0
  Sb  Sb26  1  0.000  0.000  0.998  1.0
  Sb  Sb27  1  0.000  0.000  0.498  1.0
  Sb  Sb28  1  0.667  0.333  0.164  1.0
  Sb  Sb29  1  0.333  0.667  0.664  1.0
[/CIF]
.
The compound described by Ba3NiSb2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six 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, corners with three equivalent Ni(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ni(1)O6 octahedra, faces with three equivalent Sb(1)O6 octahedra, and faces with three equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), and six 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 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, faces with two equivalent Sb(1)O6 octahedra, faces with three equivalent Ni(1)O6 octahedra, and faces with three equivalent Sb(2)O6 octahedra. Ni(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Sb(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Sb site, Sb(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SbO6 octahedra that share corners with three equivalent Sb(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ni(1)O6 octahedra. 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(2), one Ba(3), two equivalent Ba(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Ni(1), and one Sb(2) atom to form a mixture of distorted corner and face-sharing OBa4NiSb octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ni(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Ba3NiSb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   5.879
_cell_length_c   14.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   434.606
_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  0.333  0.667  0.090  1.0
  Ba  Ba1  1  0.667  0.333  0.590  1.0
  Ba  Ba2  1  0.333  0.667  0.394  1.0
  Ba  Ba3  1  0.667  0.333  0.894  1.0
  Ba  Ba4  1  0.000  0.000  0.256  1.0
  Ba  Ba5  1  0.000  0.000  0.756  1.0
  Ni  Ni6  1  0.667  0.333  0.350  1.0
  Ni  Ni7  1  0.333  0.667  0.850  1.0
  O  O8  1  0.165  0.330  0.585  1.0
  O  O9  1  0.330  0.165  0.085  1.0
  O  O10  1  0.835  0.165  0.085  1.0
  O  O11  1  0.165  0.835  0.585  1.0
  O  O12  1  0.670  0.835  0.585  1.0
  O  O13  1  0.835  0.670  0.085  1.0
  O  O14  1  0.489  0.977  0.747  1.0
  O  O15  1  0.977  0.489  0.247  1.0
  O  O16  1  0.511  0.489  0.247  1.0
  O  O17  1  0.489  0.511  0.747  1.0
  O  O18  1  0.023  0.511  0.747  1.0
  O  O19  1  0.511  0.023  0.247  1.0
  O  O20  1  0.839  0.677  0.424  1.0
  O  O21  1  0.677  0.839  0.924  1.0
  O  O22  1  0.161  0.839  0.924  1.0
  O  O23  1  0.839  0.161  0.424  1.0
  O  O24  1  0.323  0.161  0.424  1.0
  O  O25  1  0.161  0.323  0.924  1.0
  Sb  Sb26  1  0.000  0.000  0.998  1.0
  Sb  Sb27  1  0.000  0.000  0.498  1.0
  Sb  Sb28  1  0.667  0.333  0.164  1.0
  Sb  Sb29  1  0.333  0.667  0.664  1.0
[/CIF]
.