The material described by Li6V5SbO12 is Ilmenite-derived structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-60°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(7) atom. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(2), one O(8), and one O(9) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(6)O6 octahedra, edges with two equivalent V(8)O6 octahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 trigonal pyramids. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent V(7)O6 octahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(4)O4 trigonal pyramids. In the fifth V site, V(5) is bonded to two equivalent O(12), two equivalent O(2), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(8)O6 octahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(3)O4 trigonal pyramids. In the sixth V site, V(6) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(11) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(7)O6 octahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(4)O4 trigonal pyramids. In the seventh V site, V(7) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(6)O6 octahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(4)O4 trigonal pyramids. In the eighth V site, V(8) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 trigonal pyramids. Sb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one V(1), one V(6), and one V(8) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li3V3 octahedra,  an edgeedge with one O(12)Li3V3 octahedra, edges with three equivalent O(11)Li3V3 octahedra, and edges with three equivalent O(9)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one V(4), one V(5), and one V(7) atom to form OLi3V3 octahedra that share  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, edges with three equivalent O(10)Li3V3 octahedra, and edges with three equivalent O(12)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(3), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Sb(1) atom. In the fifth O site, O(5) is bonded to one Li(3), one V(2), one V(3), and one Sb(1) atom to form distorted OLiV2Sb trigonal pyramids that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra, corners with three equivalent O(8)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  an edgeedge with one O(7)LiV2Sb tetrahedra, and  an edgeedge with one O(6)LiV2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 58-61°. In the sixth O site, O(6) is bonded to one Li(4), one V(2), one V(3), and one Sb(1) atom to form distorted OLiV2Sb trigonal pyramids that share  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra, corners with three equivalent O(7)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid,  an edgeedge with one O(8)LiV2Sb tetrahedra, and  an edgeedge with one O(5)LiV2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 58-61°. In the seventh O site, O(7) is bonded to one Li(5), one V(2), one V(3), and one Sb(1) atom to form distorted OLiV2Sb tetrahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid, corners with three equivalent O(6)LiV2Sb trigonal pyramids,  an edgeedge with one O(8)LiV2Sb tetrahedra, and  an edgeedge with one O(5)LiV2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 57-60°. In the eighth O site, O(8) is bonded to one Li(6), one V(2), one V(3), and one Sb(1) atom to form distorted OLiV2Sb tetrahedra that share  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid, corners with three equivalent O(5)LiV2Sb trigonal pyramids,  an edgeedge with one O(7)LiV2Sb tetrahedra, and  an edgeedge with one O(6)LiV2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 57-60°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(6), one V(1), one V(5), and one V(8) atom to form OLi3V3 octahedra that share  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra, and edges with three equivalent O(12)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(5), one V(4), one V(6), and one V(7) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li3V3 octahedra,  an edgeedge with one O(12)Li3V3 octahedra, edges with three equivalent O(11)Li3V3 octahedra, and edges with three equivalent O(2)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(5), one V(1), one V(6), and one V(7) atom to form OLi3V3 octahedra that share  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra, and edges with three equivalent O(10)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(6), one V(4), one V(5), and one V(8) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li3V3 octahedra,  an edgeedge with one O(12)Li3V3 octahedra, edges with three equivalent O(2)Li3V3 octahedra, and edges with three equivalent O(9)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. is represented by the CIF file [CIF]
data_Li6V5SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.289
_cell_length_b   5.289
_cell_length_c   10.547
_cell_angle_alpha   95.177
_cell_angle_beta   95.159
_cell_angle_gamma   118.107
_symmetry_Int_Tables_number   1
_cell_volume   256.248
_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
  Li  Li0  1  0.760  0.758  0.287  1.0
  Li  Li1  1  0.242  0.240  0.713  1.0
  Li  Li2  1  0.914  0.579  0.714  1.0
  Li  Li3  1  0.421  0.086  0.286  1.0
  Li  Li4  1  0.576  0.912  0.716  1.0
  Li  Li5  1  0.088  0.425  0.285  1.0
  O  O6  1  0.864  0.877  0.614  1.0
  O  O7  1  0.123  0.136  0.386  1.0
  O  O8  1  0.722  0.720  0.106  1.0
  O  O9  1  0.279  0.277  0.894  1.0
  O  O10  1  0.967  0.643  0.898  1.0
  O  O11  1  0.357  0.033  0.102  1.0
  O  O12  1  0.644  0.969  0.899  1.0
  O  O13  1  0.030  0.356  0.101  1.0
  O  O14  1  0.784  0.451  0.392  1.0
  O  O15  1  0.550  0.216  0.608  1.0
  O  O16  1  0.467  0.787  0.388  1.0
  O  O17  1  0.213  0.533  0.612  1.0
  Sb  Sb18  1  1.000  1.000  0.000  1.0
  V  V19  1  0.498  0.503  0.500  1.0
  V  V20  1  0.659  0.341  1.000  1.0
  V  V21  1  0.340  0.659  1.000  1.0
  V  V22  1  0.839  0.161  0.500  1.0
  V  V23  1  0.164  0.836  0.500  1.0
[/CIF]
.
The material described by Li6V5SbO12 is Ilmenite-derived structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-60°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(7) atom. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(2), one O(8), and one O(9) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(6)O6 octahedra, edges with two equivalent V(8)O6 octahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 trigonal pyramids. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent V(7)O6 octahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(4)O4 trigonal pyramids. In the fifth V site, V(5) is bonded to two equivalent O(12), two equivalent O(2), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(8)O6 octahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(3)O4 trigonal pyramids. In the sixth V site, V(6) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(11) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(7)O6 octahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(4)O4 trigonal pyramids. In the seventh V site, V(7) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(6)O6 octahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(4)O4 trigonal pyramids. In the eighth V site, V(8) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 trigonal pyramids. Sb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one V(1), one V(6), and one V(8) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li3V3 octahedra,  an edgeedge with one O(12)Li3V3 octahedra, edges with three equivalent O(11)Li3V3 octahedra, and edges with three equivalent O(9)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one V(4), one V(5), and one V(7) atom to form OLi3V3 octahedra that share  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, edges with three equivalent O(10)Li3V3 octahedra, and edges with three equivalent O(12)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(3), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Sb(1) atom. In the fifth O site, O(5) is bonded to one Li(3), one V(2), one V(3), and one Sb(1) atom to form distorted OLiV2Sb trigonal pyramids that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra, corners with three equivalent O(8)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  an edgeedge with one O(7)LiV2Sb tetrahedra, and  an edgeedge with one O(6)LiV2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 58-61°. In the sixth O site, O(6) is bonded to one Li(4), one V(2), one V(3), and one Sb(1) atom to form distorted OLiV2Sb trigonal pyramids that share  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra, corners with three equivalent O(7)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid,  an edgeedge with one O(8)LiV2Sb tetrahedra, and  an edgeedge with one O(5)LiV2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 58-61°. In the seventh O site, O(7) is bonded to one Li(5), one V(2), one V(3), and one Sb(1) atom to form distorted OLiV2Sb tetrahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid, corners with three equivalent O(6)LiV2Sb trigonal pyramids,  an edgeedge with one O(8)LiV2Sb tetrahedra, and  an edgeedge with one O(5)LiV2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 57-60°. In the eighth O site, O(8) is bonded to one Li(6), one V(2), one V(3), and one Sb(1) atom to form distorted OLiV2Sb tetrahedra that share  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid, corners with three equivalent O(5)LiV2Sb trigonal pyramids,  an edgeedge with one O(7)LiV2Sb tetrahedra, and  an edgeedge with one O(6)LiV2Sb trigonal pyramid. The corner-sharing octahedral tilt angles range from 57-60°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(6), one V(1), one V(5), and one V(8) atom to form OLi3V3 octahedra that share  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra, and edges with three equivalent O(12)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(5), one V(4), one V(6), and one V(7) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li3V3 octahedra,  an edgeedge with one O(12)Li3V3 octahedra, edges with three equivalent O(11)Li3V3 octahedra, and edges with three equivalent O(2)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(5), one V(1), one V(6), and one V(7) atom to form OLi3V3 octahedra that share  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(7)LiV2Sb tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra, and edges with three equivalent O(10)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(6), one V(4), one V(5), and one V(8) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(10)Li3V3 octahedra,  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(8)LiV2Sb tetrahedra,  a cornercorner with one O(5)LiV2Sb trigonal pyramid,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li3V3 octahedra,  an edgeedge with one O(12)Li3V3 octahedra, edges with three equivalent O(2)Li3V3 octahedra, and edges with three equivalent O(9)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. is represented by the CIF file [CIF]
data_Li6V5SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.289
_cell_length_b   5.289
_cell_length_c   10.547
_cell_angle_alpha   95.177
_cell_angle_beta   95.159
_cell_angle_gamma   118.107
_symmetry_Int_Tables_number   1
_cell_volume   256.248
_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
  Li  Li0  1  0.760  0.758  0.287  1.0
  Li  Li1  1  0.242  0.240  0.713  1.0
  Li  Li2  1  0.914  0.579  0.714  1.0
  Li  Li3  1  0.421  0.086  0.286  1.0
  Li  Li4  1  0.576  0.912  0.716  1.0
  Li  Li5  1  0.088  0.425  0.285  1.0
  O  O6  1  0.864  0.877  0.614  1.0
  O  O7  1  0.123  0.136  0.386  1.0
  O  O8  1  0.722  0.720  0.106  1.0
  O  O9  1  0.279  0.277  0.894  1.0
  O  O10  1  0.967  0.643  0.898  1.0
  O  O11  1  0.357  0.033  0.102  1.0
  O  O12  1  0.644  0.969  0.899  1.0
  O  O13  1  0.030  0.356  0.101  1.0
  O  O14  1  0.784  0.451  0.392  1.0
  O  O15  1  0.550  0.216  0.608  1.0
  O  O16  1  0.467  0.787  0.388  1.0
  O  O17  1  0.213  0.533  0.612  1.0
  Sb  Sb18  1  1.000  1.000  0.000  1.0
  V  V19  1  0.498  0.503  0.500  1.0
  V  V20  1  0.659  0.341  1.000  1.0
  V  V21  1  0.340  0.659  1.000  1.0
  V  V22  1  0.839  0.161  0.500  1.0
  V  V23  1  0.164  0.836  0.500  1.0
[/CIF]
.