The compound described by Li13Ba8GaSb12 crystallizes in the monoclinic Cm space group. There are thirteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(9), two equivalent Ba(3), one Sb(1), one Sb(5), and two equivalent Sb(9) atoms to form distorted LiBa2LiSb4 tetrahedra that share corners with two equivalent Ba(7)LiSb6 octahedra,  a cornercorner with one Li(3)Ba2LiSb4 tetrahedra, corners with two equivalent Li(8)Ba3Sb4 tetrahedra, edges with three equivalent Ba(5)LiSb6 octahedra, edges with two equivalent Li(1)Ba2LiSb4 tetrahedra, edges with two equivalent Li(12)BaLi2Sb4 tetrahedra,  a faceface with one Ba(7)LiSb6 octahedra, and  a faceface with one Li(8)Ba3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. In the second Li site, Li(2) is bonded to one Li(10), two equivalent Ba(4), one Sb(2), one Sb(6), and two equivalent Sb(10) atoms to form distorted LiBa2LiSb4 tetrahedra that share corners with two equivalent Ba(8)LiSb6 octahedra,  a cornercorner with one Li(4)Ba2LiSb4 tetrahedra,  a cornercorner with one Li(6)Ba3Sb4 tetrahedra, corners with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with three equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Li(2)Ba2LiSb4 tetrahedra, edges with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with two equivalent Li(13)BaLi2Sb4 tetrahedra,  a faceface with one Ba(8)LiSb6 octahedra,  a faceface with one Li(7)Ba3Sb4 tetrahedra, and faces with two equivalent Li(11)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 23°. In the third Li site, Li(3) is bonded to one Li(9), two equivalent Ba(1), one Sb(3), one Sb(7), and two equivalent Sb(11) atoms to form distorted LiBa2LiSb4 tetrahedra that share corners with two equivalent Ba(5)LiSb6 octahedra,  a cornercorner with one Li(1)Ba2LiSb4 tetrahedra,  a cornercorner with one Li(7)Ba3Sb4 tetrahedra, corners with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with three equivalent Ba(7)LiSb6 octahedra, edges with two equivalent Li(3)Ba2LiSb4 tetrahedra, edges with two equivalent Li(7)Ba3Sb4 tetrahedra,  a faceface with one Ba(5)LiSb6 octahedra,  a faceface with one Li(6)Ba3Sb4 tetrahedra, and faces with two equivalent Li(12)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 23°. In the fourth Li site, Li(4) is bonded to one Li(10), two equivalent Ba(2), one Sb(4), one Sb(8), and two equivalent Sb(12) atoms to form distorted LiBa2LiSb4 tetrahedra that share corners with two equivalent Ba(6)LiSb6 octahedra,  a cornercorner with one Li(2)Ba2LiSb4 tetrahedra,  a cornercorner with one Li(8)Ba3Sb4 tetrahedra, edges with three equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(4)Ba2LiSb4 tetrahedra, edges with two equivalent Li(8)Ba3Sb4 tetrahedra, edges with two equivalent Li(11)BaLi2Sb4 tetrahedra,  a faceface with one Ba(6)LiSb6 octahedra, and faces with two equivalent Li(13)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(2), one Ga(1), one Sb(4), one Sb(5), and two equivalent Sb(1) atoms. In the sixth Li site, Li(6) is bonded to one Ba(4), two equivalent Ba(1), one Sb(3), one Sb(6), and two equivalent Sb(2) atoms to form distorted LiBa3Sb4 tetrahedra that share  a cornercorner with one Ba(7)LiSb6 octahedra,  a cornercorner with one Li(2)Ba2LiSb4 tetrahedra, corners with two equivalent Li(3)Ba2LiSb4 tetrahedra, corners with two equivalent Li(11)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Li(2)Ba2LiSb4 tetrahedra, edges with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with two equivalent Li(12)BaLi2Sb4 tetrahedra,  a faceface with one Li(3)Ba2LiSb4 tetrahedra,  a faceface with one Li(11)BaLi2Sb4 tetrahedra, and faces with two equivalent Li(7)Ba3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the seventh Li site, Li(7) is bonded to one Ba(1), two equivalent Ba(4), one Sb(2), one Sb(7), and two equivalent Sb(3) atoms to form distorted LiBa3Sb4 tetrahedra that share  a cornercorner with one Ba(6)LiSb6 octahedra,  a cornercorner with one Li(3)Ba2LiSb4 tetrahedra, corners with two equivalent Li(2)Ba2LiSb4 tetrahedra, corners with two equivalent Li(12)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(7)LiSb6 octahedra, edges with two equivalent Li(3)Ba2LiSb4 tetrahedra, edges with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with two equivalent Li(11)BaLi2Sb4 tetrahedra,  a faceface with one Li(2)Ba2LiSb4 tetrahedra,  a faceface with one Li(12)BaLi2Sb4 tetrahedra, and faces with two equivalent Li(6)Ba3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the eighth Li site, Li(8) is bonded to one Ba(2), two equivalent Ba(3), one Sb(1), one Sb(8), and two equivalent Sb(4) atoms to form distorted LiBa3Sb4 tetrahedra that share  a cornercorner with one Ba(5)LiSb6 octahedra,  a cornercorner with one Li(4)Ba2LiSb4 tetrahedra, corners with two equivalent Li(1)Ba2LiSb4 tetrahedra, corners with two equivalent Li(13)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(4)Ba2LiSb4 tetrahedra, edges with two equivalent Li(8)Ba3Sb4 tetrahedra,  a faceface with one Li(1)Ba2LiSb4 tetrahedra, and  a faceface with one Li(13)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the ninth Li site, Li(9) is bonded in a 14-coordinate geometry to one Li(1), one Li(3), two equivalent Li(12), one Ba(5), one Ba(7), two equivalent Ga(1), one Sb(1), one Sb(3), two equivalent Sb(11), and two equivalent Sb(9) atoms. In the tenth Li site, Li(10) is bonded in a 14-coordinate geometry to one Li(2), one Li(4), two equivalent Li(11), two equivalent Li(13), one Ba(6), one Ba(8), one Sb(2), one Sb(4), two equivalent Sb(10), and two equivalent Sb(12) atoms. In the eleventh Li site, Li(11) is bonded to two equivalent Li(10), one Ba(4), one Sb(10), one Sb(12), and two equivalent Sb(2) atoms to form distorted LiBaLi2Sb4 tetrahedra that share  a cornercorner with one Ba(6)LiSb6 octahedra,  a cornercorner with one Ba(8)LiSb6 octahedra, corners with two equivalent Li(6)Ba3Sb4 tetrahedra, corners with two equivalent Li(13)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(4)Ba2LiSb4 tetrahedra, edges with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with two equivalent Li(11)BaLi2Sb4 tetrahedra, faces with two equivalent Ba(6)LiSb6 octahedra,  a faceface with one Li(6)Ba3Sb4 tetrahedra,  a faceface with one Li(13)BaLi2Sb4 tetrahedra, and faces with two equivalent Li(2)Ba2LiSb4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-42°. In the twelfth Li site, Li(12) is bonded to two equivalent Li(9), one Ba(1), one Sb(11), one Sb(9), and two equivalent Sb(3) atoms to form distorted LiBaLi2Sb4 tetrahedra that share  a cornercorner with one Ba(5)LiSb6 octahedra,  a cornercorner with one Ba(7)LiSb6 octahedra, corners with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with two equivalent Ba(5)LiSb6 octahedra, edges with two equivalent Li(1)Ba2LiSb4 tetrahedra, edges with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with two equivalent Li(12)BaLi2Sb4 tetrahedra, faces with two equivalent Ba(7)LiSb6 octahedra,  a faceface with one Li(7)Ba3Sb4 tetrahedra, and faces with two equivalent Li(3)Ba2LiSb4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-47°. In the thirteenth Li site, Li(13) is bonded to two equivalent Li(10), one Ba(2), one Sb(10), one Sb(12), and two equivalent Sb(4) atoms to form distorted LiBaLi2Sb4 tetrahedra that share  a cornercorner with one Ba(6)LiSb6 octahedra,  a cornercorner with one Ba(8)LiSb6 octahedra, corners with two equivalent Li(8)Ba3Sb4 tetrahedra, corners with two equivalent Li(11)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Li(2)Ba2LiSb4 tetrahedra, edges with two equivalent Li(13)BaLi2Sb4 tetrahedra, faces with two equivalent Ba(8)LiSb6 octahedra,  a faceface with one Li(8)Ba3Sb4 tetrahedra,  a faceface with one Li(11)BaLi2Sb4 tetrahedra, and faces with two equivalent Li(4)Ba2LiSb4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-41°. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 14-coordinate geometry to one Li(12), one Li(7), two equivalent Li(3), two equivalent Li(6), one Sb(11), one Sb(2), two equivalent Sb(3), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the second Ba site, Ba(2) is bonded in a 13-coordinate geometry to one Li(13), one Li(8), two equivalent Li(4), two equivalent Li(5), one Sb(12), two equivalent Sb(4), two equivalent Sb(5), and two equivalent Sb(8) atoms. In the third Ba site, Ba(3) is bonded in a 14-coordinate geometry to one Li(5), two equivalent Li(1), two equivalent Li(8), one Ga(1), one Sb(4), one Sb(9), two equivalent Sb(1), two equivalent Sb(5), and two equivalent Sb(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 14-coordinate geometry to one Li(11), one Li(6), two equivalent Li(2), two equivalent Li(7), one Sb(10), one Sb(3), two equivalent Sb(2), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the fifth Ba site, Ba(5) is bonded to one Li(9), one Sb(1), one Sb(9), two equivalent Sb(11), and two equivalent Sb(5) atoms to form BaLiSb6 octahedra that share  a cornercorner with one Ba(7)LiSb6 octahedra,  a cornercorner with one Li(8)Ba3Sb4 tetrahedra,  a cornercorner with one Li(12)BaLi2Sb4 tetrahedra, corners with two equivalent Li(3)Ba2LiSb4 tetrahedra, edges with two equivalent Ba(5)LiSb6 octahedra, edges with two equivalent Ba(7)LiSb6 octahedra, edges with two equivalent Li(12)BaLi2Sb4 tetrahedra, edges with three equivalent Li(1)Ba2LiSb4 tetrahedra, and  a faceface with one Li(3)Ba2LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth Ba site, Ba(6) is bonded to one Li(10), one Sb(10), one Sb(2), two equivalent Sb(12), and two equivalent Sb(6) atoms to form distorted BaLiSb6 octahedra that share  a cornercorner with one Ba(8)LiSb6 octahedra,  a cornercorner with one Li(7)Ba3Sb4 tetrahedra,  a cornercorner with one Li(11)BaLi2Sb4 tetrahedra,  a cornercorner with one Li(13)BaLi2Sb4 tetrahedra, corners with two equivalent Li(4)Ba2LiSb4 tetrahedra, edges with two equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with two equivalent Li(13)BaLi2Sb4 tetrahedra, edges with three equivalent Li(2)Ba2LiSb4 tetrahedra,  a faceface with one Li(4)Ba2LiSb4 tetrahedra, and faces with two equivalent Li(11)BaLi2Sb4 tetrahedra. The corner-sharing octahedra are not tilted. In the seventh Ba site, Ba(7) is bonded to one Li(9), one Sb(11), one Sb(3), two equivalent Sb(7), and two equivalent Sb(9) atoms to form distorted BaLiSb6 octahedra that share  a cornercorner with one Ba(5)LiSb6 octahedra,  a cornercorner with one Li(6)Ba3Sb4 tetrahedra,  a cornercorner with one Li(12)BaLi2Sb4 tetrahedra, corners with two equivalent Li(1)Ba2LiSb4 tetrahedra, edges with two equivalent Ba(5)LiSb6 octahedra, edges with two equivalent Ba(7)LiSb6 octahedra, edges with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with three equivalent Li(3)Ba2LiSb4 tetrahedra,  a faceface with one Li(1)Ba2LiSb4 tetrahedra, and faces with two equivalent Li(12)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. In the eighth Ba site, Ba(8) is bonded to one Li(10), one Sb(12), one Sb(4), two equivalent Sb(10), and two equivalent Sb(8) atoms to form distorted BaLiSb6 octahedra that share  a cornercorner with one Ba(6)LiSb6 octahedra,  a cornercorner with one Li(11)BaLi2Sb4 tetrahedra,  a cornercorner with one Li(13)BaLi2Sb4 tetrahedra, corners with two equivalent Li(2)Ba2LiSb4 tetrahedra, edges with two equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(8)Ba3Sb4 tetrahedra, edges with two equivalent Li(11)BaLi2Sb4 tetrahedra, edges with three equivalent Li(4)Ba2LiSb4 tetrahedra,  a faceface with one Li(2)Ba2LiSb4 tetrahedra, and faces with two equivalent Li(13)BaLi2Sb4 tetrahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded in a 8-coordinate geometry to one Li(5), two equivalent Li(9), one Ba(3), one Sb(11), one Sb(9), and two equivalent Sb(1) atoms. There are twelve inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to one Li(1), one Li(8), one Li(9), two equivalent Li(5), one Ba(5), two equivalent Ba(3), and two equivalent Ga(1) atoms. In the second Sb site, Sb(2) is bonded in a 11-coordinate geometry to one Li(10), one Li(2), one Li(7), two equivalent Li(11), two equivalent Li(6), one Ba(1), one Ba(6), and two equivalent Ba(4) atoms. In the third Sb site, Sb(3) is bonded in a 10-coordinate geometry to one Li(3), one Li(6), one Li(9), two equivalent Li(12), two equivalent Li(7), one Ba(4), one Ba(7), and two equivalent Ba(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 9-coordinate geometry to one Li(10), one Li(4), one Li(5), two equivalent Li(13), two equivalent Li(8), one Ba(3), one Ba(8), and two equivalent Ba(2) atoms. In the fifth Sb site, Sb(5) is bonded in a 9-coordinate geometry to one Li(1), one Li(5), two equivalent Ba(2), two equivalent Ba(3), two equivalent Ba(5), and one Sb(8) atom. In the sixth Sb site, Sb(6) is bonded in a 9-coordinate geometry to one Li(2), one Li(6), two equivalent Ba(1), two equivalent Ba(4), two equivalent Ba(6), and one Sb(7) atom. In the seventh Sb site, Sb(7) is bonded in a 9-coordinate geometry to one Li(3), one Li(7), two equivalent Ba(1), two equivalent Ba(4), two equivalent Ba(7), and one Sb(6) atom. In the eighth Sb site, Sb(8) is bonded in a 9-coordinate geometry to one Li(4), one Li(8), two equivalent Ba(2), two equivalent Ba(3), two equivalent Ba(8), and one Sb(5) atom. In the ninth Sb site, Sb(9) is bonded in a 7-coordinate geometry to one Li(12), two equivalent Li(1), two equivalent Li(9), one Ba(3), one Ba(5), two equivalent Ba(7), and one Ga(1) atom. In the tenth Sb site, Sb(10) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), two equivalent Li(10), two equivalent Li(2), one Ba(4), one Ba(6), and two equivalent Ba(8) atoms. In the eleventh Sb site, Sb(11) is bonded in a 7-coordinate geometry to one Li(12), two equivalent Li(3), two equivalent Li(9), one Ba(1), one Ba(7), two equivalent Ba(5), and one Ga(1) atom. In the twelfth Sb site, Sb(12) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), two equivalent Li(10), two equivalent Li(4), one Ba(2), one Ba(8), and two equivalent Ba(6) atoms. is represented by the CIF file [CIF]
data_Ba8Li13GaSb12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.487
_cell_length_b   9.487
_cell_length_c   21.206
_cell_angle_alpha   83.278
_cell_angle_beta   83.278
_cell_angle_gamma   30.404
_symmetry_Int_Tables_number   1
_cell_volume   958.842
_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  0.117  0.117  0.960  1.0
  Ba  Ba1  1  0.615  0.615  0.454  1.0
  Ba  Ba2  1  0.387  0.387  0.541  1.0
  Ba  Ba3  1  0.884  0.884  0.044  1.0
  Ba  Ba4  1  0.567  0.567  0.669  1.0
  Ba  Ba5  1  0.070  0.070  0.172  1.0
  Ba  Ba6  1  0.928  0.928  0.831  1.0
  Ba  Ba7  1  0.431  0.431  0.328  1.0
  Li  Li8  1  0.887  0.887  0.658  1.0
  Li  Li9  1  0.384  0.384  0.159  1.0
  Li  Li10  1  0.617  0.617  0.842  1.0
  Li  Li11  1  0.116  0.116  0.341  1.0
  Li  Li12  1  0.188  0.188  0.545  1.0
  Li  Li13  1  0.690  0.690  0.046  1.0
  Li  Li14  1  0.310  0.310  0.955  1.0
  Li  Li15  1  0.811  0.811  0.453  1.0
  Li  Li16  1  0.750  0.750  0.753  1.0
  Li  Li17  1  0.250  0.250  0.249  1.0
  Li  Li18  1  0.741  0.741  0.173  1.0
  Li  Li19  1  0.259  0.259  0.830  1.0
  Li  Li20  1  0.759  0.759  0.327  1.0
  Ga  Ga21  1  0.241  0.241  0.672  1.0
  Sb  Sb22  1  0.749  0.749  0.598  1.0
  Sb  Sb23  1  0.249  0.249  0.091  1.0
  Sb  Sb24  1  0.750  0.750  0.905  1.0
  Sb  Sb25  1  0.250  0.250  0.413  1.0
  Sb  Sb26  1  0.023  0.023  0.563  1.0
  Sb  Sb27  1  0.524  0.524  0.061  1.0
  Sb  Sb28  1  0.478  0.478  0.936  1.0
  Sb  Sb29  1  0.976  0.976  0.439  1.0
  Sb  Sb30  1  0.372  0.372  0.725  1.0
  Sb  Sb31  1  0.876  0.876  0.227  1.0
  Sb  Sb32  1  0.126  0.126  0.769  1.0
  Sb  Sb33  1  0.625  0.625  0.274  1.0
[/CIF]
.
The compound described by Li13Ba8GaSb12 crystallizes in the monoclinic Cm space group. There are thirteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(9), two equivalent Ba(3), one Sb(1), one Sb(5), and two equivalent Sb(9) atoms to form distorted LiBa2LiSb4 tetrahedra that share corners with two equivalent Ba(7)LiSb6 octahedra,  a cornercorner with one Li(3)Ba2LiSb4 tetrahedra, corners with two equivalent Li(8)Ba3Sb4 tetrahedra, edges with three equivalent Ba(5)LiSb6 octahedra, edges with two equivalent Li(1)Ba2LiSb4 tetrahedra, edges with two equivalent Li(12)BaLi2Sb4 tetrahedra,  a faceface with one Ba(7)LiSb6 octahedra, and  a faceface with one Li(8)Ba3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. In the second Li site, Li(2) is bonded to one Li(10), two equivalent Ba(4), one Sb(2), one Sb(6), and two equivalent Sb(10) atoms to form distorted LiBa2LiSb4 tetrahedra that share corners with two equivalent Ba(8)LiSb6 octahedra,  a cornercorner with one Li(4)Ba2LiSb4 tetrahedra,  a cornercorner with one Li(6)Ba3Sb4 tetrahedra, corners with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with three equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Li(2)Ba2LiSb4 tetrahedra, edges with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with two equivalent Li(13)BaLi2Sb4 tetrahedra,  a faceface with one Ba(8)LiSb6 octahedra,  a faceface with one Li(7)Ba3Sb4 tetrahedra, and faces with two equivalent Li(11)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 23°. In the third Li site, Li(3) is bonded to one Li(9), two equivalent Ba(1), one Sb(3), one Sb(7), and two equivalent Sb(11) atoms to form distorted LiBa2LiSb4 tetrahedra that share corners with two equivalent Ba(5)LiSb6 octahedra,  a cornercorner with one Li(1)Ba2LiSb4 tetrahedra,  a cornercorner with one Li(7)Ba3Sb4 tetrahedra, corners with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with three equivalent Ba(7)LiSb6 octahedra, edges with two equivalent Li(3)Ba2LiSb4 tetrahedra, edges with two equivalent Li(7)Ba3Sb4 tetrahedra,  a faceface with one Ba(5)LiSb6 octahedra,  a faceface with one Li(6)Ba3Sb4 tetrahedra, and faces with two equivalent Li(12)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 23°. In the fourth Li site, Li(4) is bonded to one Li(10), two equivalent Ba(2), one Sb(4), one Sb(8), and two equivalent Sb(12) atoms to form distorted LiBa2LiSb4 tetrahedra that share corners with two equivalent Ba(6)LiSb6 octahedra,  a cornercorner with one Li(2)Ba2LiSb4 tetrahedra,  a cornercorner with one Li(8)Ba3Sb4 tetrahedra, edges with three equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(4)Ba2LiSb4 tetrahedra, edges with two equivalent Li(8)Ba3Sb4 tetrahedra, edges with two equivalent Li(11)BaLi2Sb4 tetrahedra,  a faceface with one Ba(6)LiSb6 octahedra, and faces with two equivalent Li(13)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(2), one Ga(1), one Sb(4), one Sb(5), and two equivalent Sb(1) atoms. In the sixth Li site, Li(6) is bonded to one Ba(4), two equivalent Ba(1), one Sb(3), one Sb(6), and two equivalent Sb(2) atoms to form distorted LiBa3Sb4 tetrahedra that share  a cornercorner with one Ba(7)LiSb6 octahedra,  a cornercorner with one Li(2)Ba2LiSb4 tetrahedra, corners with two equivalent Li(3)Ba2LiSb4 tetrahedra, corners with two equivalent Li(11)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Li(2)Ba2LiSb4 tetrahedra, edges with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with two equivalent Li(12)BaLi2Sb4 tetrahedra,  a faceface with one Li(3)Ba2LiSb4 tetrahedra,  a faceface with one Li(11)BaLi2Sb4 tetrahedra, and faces with two equivalent Li(7)Ba3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the seventh Li site, Li(7) is bonded to one Ba(1), two equivalent Ba(4), one Sb(2), one Sb(7), and two equivalent Sb(3) atoms to form distorted LiBa3Sb4 tetrahedra that share  a cornercorner with one Ba(6)LiSb6 octahedra,  a cornercorner with one Li(3)Ba2LiSb4 tetrahedra, corners with two equivalent Li(2)Ba2LiSb4 tetrahedra, corners with two equivalent Li(12)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(7)LiSb6 octahedra, edges with two equivalent Li(3)Ba2LiSb4 tetrahedra, edges with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with two equivalent Li(11)BaLi2Sb4 tetrahedra,  a faceface with one Li(2)Ba2LiSb4 tetrahedra,  a faceface with one Li(12)BaLi2Sb4 tetrahedra, and faces with two equivalent Li(6)Ba3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the eighth Li site, Li(8) is bonded to one Ba(2), two equivalent Ba(3), one Sb(1), one Sb(8), and two equivalent Sb(4) atoms to form distorted LiBa3Sb4 tetrahedra that share  a cornercorner with one Ba(5)LiSb6 octahedra,  a cornercorner with one Li(4)Ba2LiSb4 tetrahedra, corners with two equivalent Li(1)Ba2LiSb4 tetrahedra, corners with two equivalent Li(13)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(4)Ba2LiSb4 tetrahedra, edges with two equivalent Li(8)Ba3Sb4 tetrahedra,  a faceface with one Li(1)Ba2LiSb4 tetrahedra, and  a faceface with one Li(13)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the ninth Li site, Li(9) is bonded in a 14-coordinate geometry to one Li(1), one Li(3), two equivalent Li(12), one Ba(5), one Ba(7), two equivalent Ga(1), one Sb(1), one Sb(3), two equivalent Sb(11), and two equivalent Sb(9) atoms. In the tenth Li site, Li(10) is bonded in a 14-coordinate geometry to one Li(2), one Li(4), two equivalent Li(11), two equivalent Li(13), one Ba(6), one Ba(8), one Sb(2), one Sb(4), two equivalent Sb(10), and two equivalent Sb(12) atoms. In the eleventh Li site, Li(11) is bonded to two equivalent Li(10), one Ba(4), one Sb(10), one Sb(12), and two equivalent Sb(2) atoms to form distorted LiBaLi2Sb4 tetrahedra that share  a cornercorner with one Ba(6)LiSb6 octahedra,  a cornercorner with one Ba(8)LiSb6 octahedra, corners with two equivalent Li(6)Ba3Sb4 tetrahedra, corners with two equivalent Li(13)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(4)Ba2LiSb4 tetrahedra, edges with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with two equivalent Li(11)BaLi2Sb4 tetrahedra, faces with two equivalent Ba(6)LiSb6 octahedra,  a faceface with one Li(6)Ba3Sb4 tetrahedra,  a faceface with one Li(13)BaLi2Sb4 tetrahedra, and faces with two equivalent Li(2)Ba2LiSb4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-42°. In the twelfth Li site, Li(12) is bonded to two equivalent Li(9), one Ba(1), one Sb(11), one Sb(9), and two equivalent Sb(3) atoms to form distorted LiBaLi2Sb4 tetrahedra that share  a cornercorner with one Ba(5)LiSb6 octahedra,  a cornercorner with one Ba(7)LiSb6 octahedra, corners with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with two equivalent Ba(5)LiSb6 octahedra, edges with two equivalent Li(1)Ba2LiSb4 tetrahedra, edges with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with two equivalent Li(12)BaLi2Sb4 tetrahedra, faces with two equivalent Ba(7)LiSb6 octahedra,  a faceface with one Li(7)Ba3Sb4 tetrahedra, and faces with two equivalent Li(3)Ba2LiSb4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-47°. In the thirteenth Li site, Li(13) is bonded to two equivalent Li(10), one Ba(2), one Sb(10), one Sb(12), and two equivalent Sb(4) atoms to form distorted LiBaLi2Sb4 tetrahedra that share  a cornercorner with one Ba(6)LiSb6 octahedra,  a cornercorner with one Ba(8)LiSb6 octahedra, corners with two equivalent Li(8)Ba3Sb4 tetrahedra, corners with two equivalent Li(11)BaLi2Sb4 tetrahedra, edges with two equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Li(2)Ba2LiSb4 tetrahedra, edges with two equivalent Li(13)BaLi2Sb4 tetrahedra, faces with two equivalent Ba(8)LiSb6 octahedra,  a faceface with one Li(8)Ba3Sb4 tetrahedra,  a faceface with one Li(11)BaLi2Sb4 tetrahedra, and faces with two equivalent Li(4)Ba2LiSb4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-41°. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 14-coordinate geometry to one Li(12), one Li(7), two equivalent Li(3), two equivalent Li(6), one Sb(11), one Sb(2), two equivalent Sb(3), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the second Ba site, Ba(2) is bonded in a 13-coordinate geometry to one Li(13), one Li(8), two equivalent Li(4), two equivalent Li(5), one Sb(12), two equivalent Sb(4), two equivalent Sb(5), and two equivalent Sb(8) atoms. In the third Ba site, Ba(3) is bonded in a 14-coordinate geometry to one Li(5), two equivalent Li(1), two equivalent Li(8), one Ga(1), one Sb(4), one Sb(9), two equivalent Sb(1), two equivalent Sb(5), and two equivalent Sb(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 14-coordinate geometry to one Li(11), one Li(6), two equivalent Li(2), two equivalent Li(7), one Sb(10), one Sb(3), two equivalent Sb(2), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the fifth Ba site, Ba(5) is bonded to one Li(9), one Sb(1), one Sb(9), two equivalent Sb(11), and two equivalent Sb(5) atoms to form BaLiSb6 octahedra that share  a cornercorner with one Ba(7)LiSb6 octahedra,  a cornercorner with one Li(8)Ba3Sb4 tetrahedra,  a cornercorner with one Li(12)BaLi2Sb4 tetrahedra, corners with two equivalent Li(3)Ba2LiSb4 tetrahedra, edges with two equivalent Ba(5)LiSb6 octahedra, edges with two equivalent Ba(7)LiSb6 octahedra, edges with two equivalent Li(12)BaLi2Sb4 tetrahedra, edges with three equivalent Li(1)Ba2LiSb4 tetrahedra, and  a faceface with one Li(3)Ba2LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth Ba site, Ba(6) is bonded to one Li(10), one Sb(10), one Sb(2), two equivalent Sb(12), and two equivalent Sb(6) atoms to form distorted BaLiSb6 octahedra that share  a cornercorner with one Ba(8)LiSb6 octahedra,  a cornercorner with one Li(7)Ba3Sb4 tetrahedra,  a cornercorner with one Li(11)BaLi2Sb4 tetrahedra,  a cornercorner with one Li(13)BaLi2Sb4 tetrahedra, corners with two equivalent Li(4)Ba2LiSb4 tetrahedra, edges with two equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(6)Ba3Sb4 tetrahedra, edges with two equivalent Li(13)BaLi2Sb4 tetrahedra, edges with three equivalent Li(2)Ba2LiSb4 tetrahedra,  a faceface with one Li(4)Ba2LiSb4 tetrahedra, and faces with two equivalent Li(11)BaLi2Sb4 tetrahedra. The corner-sharing octahedra are not tilted. In the seventh Ba site, Ba(7) is bonded to one Li(9), one Sb(11), one Sb(3), two equivalent Sb(7), and two equivalent Sb(9) atoms to form distorted BaLiSb6 octahedra that share  a cornercorner with one Ba(5)LiSb6 octahedra,  a cornercorner with one Li(6)Ba3Sb4 tetrahedra,  a cornercorner with one Li(12)BaLi2Sb4 tetrahedra, corners with two equivalent Li(1)Ba2LiSb4 tetrahedra, edges with two equivalent Ba(5)LiSb6 octahedra, edges with two equivalent Ba(7)LiSb6 octahedra, edges with two equivalent Li(7)Ba3Sb4 tetrahedra, edges with three equivalent Li(3)Ba2LiSb4 tetrahedra,  a faceface with one Li(1)Ba2LiSb4 tetrahedra, and faces with two equivalent Li(12)BaLi2Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. In the eighth Ba site, Ba(8) is bonded to one Li(10), one Sb(12), one Sb(4), two equivalent Sb(10), and two equivalent Sb(8) atoms to form distorted BaLiSb6 octahedra that share  a cornercorner with one Ba(6)LiSb6 octahedra,  a cornercorner with one Li(11)BaLi2Sb4 tetrahedra,  a cornercorner with one Li(13)BaLi2Sb4 tetrahedra, corners with two equivalent Li(2)Ba2LiSb4 tetrahedra, edges with two equivalent Ba(6)LiSb6 octahedra, edges with two equivalent Ba(8)LiSb6 octahedra, edges with two equivalent Li(8)Ba3Sb4 tetrahedra, edges with two equivalent Li(11)BaLi2Sb4 tetrahedra, edges with three equivalent Li(4)Ba2LiSb4 tetrahedra,  a faceface with one Li(2)Ba2LiSb4 tetrahedra, and faces with two equivalent Li(13)BaLi2Sb4 tetrahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded in a 8-coordinate geometry to one Li(5), two equivalent Li(9), one Ba(3), one Sb(11), one Sb(9), and two equivalent Sb(1) atoms. There are twelve inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to one Li(1), one Li(8), one Li(9), two equivalent Li(5), one Ba(5), two equivalent Ba(3), and two equivalent Ga(1) atoms. In the second Sb site, Sb(2) is bonded in a 11-coordinate geometry to one Li(10), one Li(2), one Li(7), two equivalent Li(11), two equivalent Li(6), one Ba(1), one Ba(6), and two equivalent Ba(4) atoms. In the third Sb site, Sb(3) is bonded in a 10-coordinate geometry to one Li(3), one Li(6), one Li(9), two equivalent Li(12), two equivalent Li(7), one Ba(4), one Ba(7), and two equivalent Ba(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 9-coordinate geometry to one Li(10), one Li(4), one Li(5), two equivalent Li(13), two equivalent Li(8), one Ba(3), one Ba(8), and two equivalent Ba(2) atoms. In the fifth Sb site, Sb(5) is bonded in a 9-coordinate geometry to one Li(1), one Li(5), two equivalent Ba(2), two equivalent Ba(3), two equivalent Ba(5), and one Sb(8) atom. In the sixth Sb site, Sb(6) is bonded in a 9-coordinate geometry to one Li(2), one Li(6), two equivalent Ba(1), two equivalent Ba(4), two equivalent Ba(6), and one Sb(7) atom. In the seventh Sb site, Sb(7) is bonded in a 9-coordinate geometry to one Li(3), one Li(7), two equivalent Ba(1), two equivalent Ba(4), two equivalent Ba(7), and one Sb(6) atom. In the eighth Sb site, Sb(8) is bonded in a 9-coordinate geometry to one Li(4), one Li(8), two equivalent Ba(2), two equivalent Ba(3), two equivalent Ba(8), and one Sb(5) atom. In the ninth Sb site, Sb(9) is bonded in a 7-coordinate geometry to one Li(12), two equivalent Li(1), two equivalent Li(9), one Ba(3), one Ba(5), two equivalent Ba(7), and one Ga(1) atom. In the tenth Sb site, Sb(10) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), two equivalent Li(10), two equivalent Li(2), one Ba(4), one Ba(6), and two equivalent Ba(8) atoms. In the eleventh Sb site, Sb(11) is bonded in a 7-coordinate geometry to one Li(12), two equivalent Li(3), two equivalent Li(9), one Ba(1), one Ba(7), two equivalent Ba(5), and one Ga(1) atom. In the twelfth Sb site, Sb(12) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), two equivalent Li(10), two equivalent Li(4), one Ba(2), one Ba(8), and two equivalent Ba(6) atoms. is represented by the CIF file [CIF]
data_Ba8Li13GaSb12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.487
_cell_length_b   9.487
_cell_length_c   21.206
_cell_angle_alpha   83.278
_cell_angle_beta   83.278
_cell_angle_gamma   30.404
_symmetry_Int_Tables_number   1
_cell_volume   958.842
_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  0.117  0.117  0.960  1.0
  Ba  Ba1  1  0.615  0.615  0.454  1.0
  Ba  Ba2  1  0.387  0.387  0.541  1.0
  Ba  Ba3  1  0.884  0.884  0.044  1.0
  Ba  Ba4  1  0.567  0.567  0.669  1.0
  Ba  Ba5  1  0.070  0.070  0.172  1.0
  Ba  Ba6  1  0.928  0.928  0.831  1.0
  Ba  Ba7  1  0.431  0.431  0.328  1.0
  Li  Li8  1  0.887  0.887  0.658  1.0
  Li  Li9  1  0.384  0.384  0.159  1.0
  Li  Li10  1  0.617  0.617  0.842  1.0
  Li  Li11  1  0.116  0.116  0.341  1.0
  Li  Li12  1  0.188  0.188  0.545  1.0
  Li  Li13  1  0.690  0.690  0.046  1.0
  Li  Li14  1  0.310  0.310  0.955  1.0
  Li  Li15  1  0.811  0.811  0.453  1.0
  Li  Li16  1  0.750  0.750  0.753  1.0
  Li  Li17  1  0.250  0.250  0.249  1.0
  Li  Li18  1  0.741  0.741  0.173  1.0
  Li  Li19  1  0.259  0.259  0.830  1.0
  Li  Li20  1  0.759  0.759  0.327  1.0
  Ga  Ga21  1  0.241  0.241  0.672  1.0
  Sb  Sb22  1  0.749  0.749  0.598  1.0
  Sb  Sb23  1  0.249  0.249  0.091  1.0
  Sb  Sb24  1  0.750  0.750  0.905  1.0
  Sb  Sb25  1  0.250  0.250  0.413  1.0
  Sb  Sb26  1  0.023  0.023  0.563  1.0
  Sb  Sb27  1  0.524  0.524  0.061  1.0
  Sb  Sb28  1  0.478  0.478  0.936  1.0
  Sb  Sb29  1  0.976  0.976  0.439  1.0
  Sb  Sb30  1  0.372  0.372  0.725  1.0
  Sb  Sb31  1  0.876  0.876  0.227  1.0
  Sb  Sb32  1  0.126  0.126  0.769  1.0
  Sb  Sb33  1  0.625  0.625  0.274  1.0
[/CIF]
.