The crystal structure described by Li5Nb2V5O12 is alpha Po-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Nb(1)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Li(3)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent V(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Nb(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Nb(2)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Nb(1), one V(1), and one V(3) atom to form OLi3NbV2 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(2)Li2NbV3 octahedra,  an edgeedge with one O(4)Li2NbV3 octahedra,  an edgeedge with one O(6)Li2NbV3 octahedra,  an edgeedge with one O(5)Li3NbV2 octahedra, edges with four equivalent O(1)Li3NbV2 octahedra, and edges with four equivalent O(3)Li3NbV2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Nb(2), one V(1), one V(2), and one V(4) atom to form OLi2NbV3 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(6)Li2NbV3 octahedra,  an edgeedge with one O(1)Li3NbV2 octahedra,  an edgeedge with one O(3)Li3NbV2 octahedra,  an edgeedge with one O(5)Li3NbV2 octahedra, edges with four equivalent O(2)Li2NbV3 octahedra, and edges with four equivalent O(4)Li2NbV3 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Nb(1), one V(1), and one V(3) atom to form OLi3NbV2 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(2)Li2NbV3 octahedra,  an edgeedge with one O(4)Li2NbV3 octahedra,  an edgeedge with one O(6)Li2NbV3 octahedra,  an edgeedge with one O(1)Li3NbV2 octahedra, edges with four equivalent O(3)Li3NbV2 octahedra, and edges with four equivalent O(5)Li3NbV2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Nb(2), one V(1), one V(2), and one V(4) atom to form OLi2NbV3 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(2)Li2NbV3 octahedra,  an edgeedge with one O(1)Li3NbV2 octahedra,  an edgeedge with one O(3)Li3NbV2 octahedra,  an edgeedge with one O(5)Li3NbV2 octahedra, edges with four equivalent O(4)Li2NbV3 octahedra, and edges with four equivalent O(6)Li2NbV3 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Nb(1), one V(1), and one V(3) atom to form OLi3NbV2 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(2)Li2NbV3 octahedra,  an edgeedge with one O(4)Li2NbV3 octahedra,  an edgeedge with one O(6)Li2NbV3 octahedra,  an edgeedge with one O(3)Li3NbV2 octahedra, edges with four equivalent O(1)Li3NbV2 octahedra, and edges with four equivalent O(5)Li3NbV2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Nb(2), one V(1), one V(2), and one V(4) atom to form OLi2NbV3 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(4)Li2NbV3 octahedra,  an edgeedge with one O(1)Li3NbV2 octahedra,  an edgeedge with one O(3)Li3NbV2 octahedra,  an edgeedge with one O(5)Li3NbV2 octahedra, edges with four equivalent O(2)Li2NbV3 octahedra, and edges with four equivalent O(6)Li2NbV3 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Nb2V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.249
_cell_length_b   5.249
_cell_length_c   10.200
_cell_angle_alpha   84.603
_cell_angle_beta   95.397
_cell_angle_gamma   59.164
_symmetry_Int_Tables_number   1
_cell_volume   236.913
_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  0.165  0.679  0.505  1.0
  Li  Li1  1  0.318  0.825  0.992  1.0
  Li  Li2  1  0.679  0.165  0.995  1.0
  Li  Li3  1  0.825  0.318  0.508  1.0
  Li  Li4  1  0.923  0.923  0.750  1.0
  Nb  Nb5  1  0.252  0.252  0.750  1.0
  Nb  Nb6  1  0.743  0.743  0.250  1.0
  V  V7  1  0.998  0.504  0.993  1.0
  V  V8  1  0.504  0.998  0.507  1.0
  V  V9  1  0.431  0.431  0.250  1.0
  V  V10  1  0.582  0.582  0.750  1.0
  V  V11  1  0.078  0.078  0.250  1.0
  O  O12  1  0.975  0.203  0.870  1.0
  O  O13  1  0.203  0.975  0.630  1.0
  O  O14  1  0.123  0.382  0.368  1.0
  O  O15  1  0.382  0.123  0.132  1.0
  O  O16  1  0.292  0.533  0.869  1.0
  O  O17  1  0.533  0.292  0.631  1.0
  O  O18  1  0.457  0.710  0.382  1.0
  O  O19  1  0.710  0.457  0.118  1.0
  O  O20  1  0.614  0.888  0.869  1.0
  O  O21  1  0.888  0.614  0.631  1.0
  O  O22  1  0.790  0.036  0.376  1.0
  O  O23  1  0.036  0.790  0.124  1.0
[/CIF]
.
The crystal structure described by Li5Nb2V5O12 is alpha Po-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Nb(1)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Li(3)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent V(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Nb(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)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 three equivalent Nb(2)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Nb(1), one V(1), and one V(3) atom to form OLi3NbV2 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(2)Li2NbV3 octahedra,  an edgeedge with one O(4)Li2NbV3 octahedra,  an edgeedge with one O(6)Li2NbV3 octahedra,  an edgeedge with one O(5)Li3NbV2 octahedra, edges with four equivalent O(1)Li3NbV2 octahedra, and edges with four equivalent O(3)Li3NbV2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Nb(2), one V(1), one V(2), and one V(4) atom to form OLi2NbV3 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(6)Li2NbV3 octahedra,  an edgeedge with one O(1)Li3NbV2 octahedra,  an edgeedge with one O(3)Li3NbV2 octahedra,  an edgeedge with one O(5)Li3NbV2 octahedra, edges with four equivalent O(2)Li2NbV3 octahedra, and edges with four equivalent O(4)Li2NbV3 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Nb(1), one V(1), and one V(3) atom to form OLi3NbV2 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(2)Li2NbV3 octahedra,  an edgeedge with one O(4)Li2NbV3 octahedra,  an edgeedge with one O(6)Li2NbV3 octahedra,  an edgeedge with one O(1)Li3NbV2 octahedra, edges with four equivalent O(3)Li3NbV2 octahedra, and edges with four equivalent O(5)Li3NbV2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Nb(2), one V(1), one V(2), and one V(4) atom to form OLi2NbV3 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(2)Li2NbV3 octahedra,  an edgeedge with one O(1)Li3NbV2 octahedra,  an edgeedge with one O(3)Li3NbV2 octahedra,  an edgeedge with one O(5)Li3NbV2 octahedra, edges with four equivalent O(4)Li2NbV3 octahedra, and edges with four equivalent O(6)Li2NbV3 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Nb(1), one V(1), and one V(3) atom to form OLi3NbV2 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(2)Li2NbV3 octahedra,  an edgeedge with one O(4)Li2NbV3 octahedra,  an edgeedge with one O(6)Li2NbV3 octahedra,  an edgeedge with one O(3)Li3NbV2 octahedra, edges with four equivalent O(1)Li3NbV2 octahedra, and edges with four equivalent O(5)Li3NbV2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Nb(2), one V(1), one V(2), and one V(4) atom to form OLi2NbV3 octahedra that share  a cornercorner with one O(2)Li2NbV3 octahedra,  a cornercorner with one O(4)Li2NbV3 octahedra,  a cornercorner with one O(6)Li2NbV3 octahedra,  a cornercorner with one O(1)Li3NbV2 octahedra,  a cornercorner with one O(3)Li3NbV2 octahedra,  a cornercorner with one O(5)Li3NbV2 octahedra,  an edgeedge with one O(4)Li2NbV3 octahedra,  an edgeedge with one O(1)Li3NbV2 octahedra,  an edgeedge with one O(3)Li3NbV2 octahedra,  an edgeedge with one O(5)Li3NbV2 octahedra, edges with four equivalent O(2)Li2NbV3 octahedra, and edges with four equivalent O(6)Li2NbV3 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Nb2V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.249
_cell_length_b   5.249
_cell_length_c   10.200
_cell_angle_alpha   84.603
_cell_angle_beta   95.397
_cell_angle_gamma   59.164
_symmetry_Int_Tables_number   1
_cell_volume   236.913
_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  0.165  0.679  0.505  1.0
  Li  Li1  1  0.318  0.825  0.992  1.0
  Li  Li2  1  0.679  0.165  0.995  1.0
  Li  Li3  1  0.825  0.318  0.508  1.0
  Li  Li4  1  0.923  0.923  0.750  1.0
  Nb  Nb5  1  0.252  0.252  0.750  1.0
  Nb  Nb6  1  0.743  0.743  0.250  1.0
  V  V7  1  0.998  0.504  0.993  1.0
  V  V8  1  0.504  0.998  0.507  1.0
  V  V9  1  0.431  0.431  0.250  1.0
  V  V10  1  0.582  0.582  0.750  1.0
  V  V11  1  0.078  0.078  0.250  1.0
  O  O12  1  0.975  0.203  0.870  1.0
  O  O13  1  0.203  0.975  0.630  1.0
  O  O14  1  0.123  0.382  0.368  1.0
  O  O15  1  0.382  0.123  0.132  1.0
  O  O16  1  0.292  0.533  0.869  1.0
  O  O17  1  0.533  0.292  0.631  1.0
  O  O18  1  0.457  0.710  0.382  1.0
  O  O19  1  0.710  0.457  0.118  1.0
  O  O20  1  0.614  0.888  0.869  1.0
  O  O21  1  0.888  0.614  0.631  1.0
  O  O22  1  0.790  0.036  0.376  1.0
  O  O23  1  0.036  0.790  0.124  1.0
[/CIF]
.