The material described by Li3V3SbO8 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share corners with six equivalent O(1)Li3V3 octahedra, edges with four equivalent O(2)Li2V2Sb square pyramids, edges with four equivalent O(3)Li2V2Sb square pyramids, and edges with four equivalent O(4)Li2V2Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to two equivalent Li(2), two equivalent V(2), and one Sb(1) atom to form OLi2V2Sb square pyramids that share corners with two equivalent O(3)Li2V2Sb square pyramids, corners with two equivalent O(4)Li2V2Sb square pyramids, corners with five equivalent O(2)Li2V2Sb square pyramids, edges with four equivalent O(1)Li3V3 octahedra, edges with two equivalent O(3)Li2V2Sb square pyramids, and edges with two equivalent O(4)Li2V2Sb square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(1), one V(2), and one Sb(1) atom to form OLi2V2Sb square pyramids that share  a cornercorner with one O(3)Li2V2Sb square pyramid, corners with two equivalent O(2)Li2V2Sb square pyramids, corners with six equivalent O(4)Li2V2Sb square pyramids, edges with four equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2V2Sb square pyramid,  an edgeedge with one O(4)Li2V2Sb square pyramid, and edges with two equivalent O(2)Li2V2Sb square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), one V(2), and one Sb(1) atom to form OLi2V2Sb square pyramids that share  a cornercorner with one O(4)Li2V2Sb square pyramid, corners with two equivalent O(2)Li2V2Sb square pyramids, corners with six equivalent O(3)Li2V2Sb square pyramids, edges with four equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2V2Sb square pyramid,  an edgeedge with one O(4)Li2V2Sb square pyramid, and edges with two equivalent O(2)Li2V2Sb square pyramids. is represented by the CIF file [CIF]
data_Li3V3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   6.108
_cell_length_c   6.116
_cell_angle_alpha   60.056
_cell_angle_beta   60.092
_cell_angle_gamma   60.624
_symmetry_Int_Tables_number   1
_cell_volume   162.199
_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  0.000  1.000  0.500  1.0
  Li  Li1  1  0.500  1.000  1.000  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  O  O3  1  0.250  0.251  0.279  1.0
  O  O4  1  0.749  0.750  0.721  1.0
  O  O5  1  0.766  0.766  0.239  1.0
  O  O6  1  0.234  0.234  0.761  1.0
  O  O7  1  0.244  0.777  0.760  1.0
  O  O8  1  0.776  0.242  0.761  1.0
  O  O9  1  0.758  0.224  0.239  1.0
  O  O10  1  0.223  0.756  0.240  1.0
  Sb  Sb11  1  0.001  0.999  1.000  1.0
  V  V12  1  0.501  0.499  0.000  1.0
  V  V13  1  0.998  0.500  0.501  1.0
  V  V14  1  0.500  0.002  0.499  1.0
[/CIF]
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The material described by Li3V3SbO8 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share corners with six equivalent O(1)Li3V3 octahedra, edges with four equivalent O(2)Li2V2Sb square pyramids, edges with four equivalent O(3)Li2V2Sb square pyramids, and edges with four equivalent O(4)Li2V2Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to two equivalent Li(2), two equivalent V(2), and one Sb(1) atom to form OLi2V2Sb square pyramids that share corners with two equivalent O(3)Li2V2Sb square pyramids, corners with two equivalent O(4)Li2V2Sb square pyramids, corners with five equivalent O(2)Li2V2Sb square pyramids, edges with four equivalent O(1)Li3V3 octahedra, edges with two equivalent O(3)Li2V2Sb square pyramids, and edges with two equivalent O(4)Li2V2Sb square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(1), one V(2), and one Sb(1) atom to form OLi2V2Sb square pyramids that share  a cornercorner with one O(3)Li2V2Sb square pyramid, corners with two equivalent O(2)Li2V2Sb square pyramids, corners with six equivalent O(4)Li2V2Sb square pyramids, edges with four equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2V2Sb square pyramid,  an edgeedge with one O(4)Li2V2Sb square pyramid, and edges with two equivalent O(2)Li2V2Sb square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), one V(2), and one Sb(1) atom to form OLi2V2Sb square pyramids that share  a cornercorner with one O(4)Li2V2Sb square pyramid, corners with two equivalent O(2)Li2V2Sb square pyramids, corners with six equivalent O(3)Li2V2Sb square pyramids, edges with four equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2V2Sb square pyramid,  an edgeedge with one O(4)Li2V2Sb square pyramid, and edges with two equivalent O(2)Li2V2Sb square pyramids. is represented by the CIF file [CIF]
data_Li3V3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   6.108
_cell_length_c   6.116
_cell_angle_alpha   60.056
_cell_angle_beta   60.092
_cell_angle_gamma   60.624
_symmetry_Int_Tables_number   1
_cell_volume   162.199
_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  0.000  1.000  0.500  1.0
  Li  Li1  1  0.500  1.000  1.000  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  O  O3  1  0.250  0.251  0.279  1.0
  O  O4  1  0.749  0.750  0.721  1.0
  O  O5  1  0.766  0.766  0.239  1.0
  O  O6  1  0.234  0.234  0.761  1.0
  O  O7  1  0.244  0.777  0.760  1.0
  O  O8  1  0.776  0.242  0.761  1.0
  O  O9  1  0.758  0.224  0.239  1.0
  O  O10  1  0.223  0.756  0.240  1.0
  Sb  Sb11  1  0.001  0.999  1.000  1.0
  V  V12  1  0.501  0.499  0.000  1.0
  V  V13  1  0.998  0.500  0.501  1.0
  V  V14  1  0.500  0.002  0.499  1.0
[/CIF]
.