The crystal structure described by Li5V2Ni5O12 is Caswellsilverite-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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. 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 Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. 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(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 Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. 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 Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Ni site, Ni(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 NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(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 2-9°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. 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 V(1), one Ni(2), and one Ni(4) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(2)Li2VNi3 octahedra,  an edgeedge with one O(4)Li2VNi3 octahedra,  an edgeedge with one O(6)Li2VNi3 octahedra,  an edgeedge with one O(5)Li3VNi2 octahedra, edges with four equivalent O(1)Li3VNi2 octahedra, and edges with four equivalent O(3)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one V(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2VNi3 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(6)Li2VNi3 octahedra,  an edgeedge with one O(1)Li3VNi2 octahedra,  an edgeedge with one O(3)Li3VNi2 octahedra,  an edgeedge with one O(5)Li3VNi2 octahedra, edges with four equivalent O(2)Li2VNi3 octahedra, and edges with four equivalent O(4)Li2VNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Ni(2), and one Ni(4) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(2)Li2VNi3 octahedra,  an edgeedge with one O(4)Li2VNi3 octahedra,  an edgeedge with one O(6)Li2VNi3 octahedra,  an edgeedge with one O(1)Li3VNi2 octahedra, edges with four equivalent O(3)Li3VNi2 octahedra, and edges with four equivalent O(5)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one V(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2VNi3 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(2)Li2VNi3 octahedra,  an edgeedge with one O(1)Li3VNi2 octahedra,  an edgeedge with one O(3)Li3VNi2 octahedra,  an edgeedge with one O(5)Li3VNi2 octahedra, edges with four equivalent O(4)Li2VNi3 octahedra, and edges with four equivalent O(6)Li2VNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Ni(2), and one Ni(4) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(2)Li2VNi3 octahedra,  an edgeedge with one O(4)Li2VNi3 octahedra,  an edgeedge with one O(6)Li2VNi3 octahedra,  an edgeedge with one O(3)Li3VNi2 octahedra, edges with four equivalent O(1)Li3VNi2 octahedra, and edges with four equivalent O(5)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one V(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2VNi3 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(4)Li2VNi3 octahedra,  an edgeedge with one O(1)Li3VNi2 octahedra,  an edgeedge with one O(3)Li3VNi2 octahedra,  an edgeedge with one O(5)Li3VNi2 octahedra, edges with four equivalent O(2)Li2VNi3 octahedra, and edges with four equivalent O(6)Li2VNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5V2Ni5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.131
_cell_length_b   5.131
_cell_length_c   9.782
_cell_angle_alpha   84.608
_cell_angle_beta   95.392
_cell_angle_gamma   58.736
_symmetry_Int_Tables_number   1
_cell_volume   216.101
_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  0.167  0.675  0.503  1.0
  Li  Li1  1  0.326  0.831  0.995  1.0
  Li  Li2  1  0.675  0.167  0.997  1.0
  Li  Li3  1  0.831  0.326  0.505  1.0
  Li  Li4  1  0.921  0.921  0.750  1.0
  V  V5  1  0.253  0.253  0.750  1.0
  V  V6  1  0.748  0.748  0.250  1.0
  Ni  Ni7  1  0.079  0.079  0.250  1.0
  Ni  Ni8  1  0.996  0.507  0.997  1.0
  Ni  Ni9  1  0.507  0.996  0.503  1.0
  Ni  Ni10  1  0.419  0.419  0.250  1.0
  Ni  Ni11  1  0.582  0.582  0.750  1.0
  O  O12  1  0.982  0.219  0.866  1.0
  O  O13  1  0.219  0.982  0.634  1.0
  O  O14  1  0.105  0.393  0.365  1.0
  O  O15  1  0.393  0.105  0.135  1.0
  O  O16  1  0.292  0.515  0.866  1.0
  O  O17  1  0.515  0.292  0.634  1.0
  O  O18  1  0.473  0.711  0.372  1.0
  O  O19  1  0.711  0.473  0.128  1.0
  O  O20  1  0.599  0.897  0.865  1.0
  O  O21  1  0.897  0.599  0.635  1.0
  O  O22  1  0.787  0.025  0.372  1.0
  O  O23  1  0.025  0.787  0.128  1.0
[/CIF]
.
The crystal structure described by Li5V2Ni5O12 is Caswellsilverite-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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. 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 Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. 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(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 Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. 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 Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Ni site, Ni(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 NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(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 2-9°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. 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 V(1), one Ni(2), and one Ni(4) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(2)Li2VNi3 octahedra,  an edgeedge with one O(4)Li2VNi3 octahedra,  an edgeedge with one O(6)Li2VNi3 octahedra,  an edgeedge with one O(5)Li3VNi2 octahedra, edges with four equivalent O(1)Li3VNi2 octahedra, and edges with four equivalent O(3)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one V(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2VNi3 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(6)Li2VNi3 octahedra,  an edgeedge with one O(1)Li3VNi2 octahedra,  an edgeedge with one O(3)Li3VNi2 octahedra,  an edgeedge with one O(5)Li3VNi2 octahedra, edges with four equivalent O(2)Li2VNi3 octahedra, and edges with four equivalent O(4)Li2VNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Ni(2), and one Ni(4) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(2)Li2VNi3 octahedra,  an edgeedge with one O(4)Li2VNi3 octahedra,  an edgeedge with one O(6)Li2VNi3 octahedra,  an edgeedge with one O(1)Li3VNi2 octahedra, edges with four equivalent O(3)Li3VNi2 octahedra, and edges with four equivalent O(5)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one V(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2VNi3 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(2)Li2VNi3 octahedra,  an edgeedge with one O(1)Li3VNi2 octahedra,  an edgeedge with one O(3)Li3VNi2 octahedra,  an edgeedge with one O(5)Li3VNi2 octahedra, edges with four equivalent O(4)Li2VNi3 octahedra, and edges with four equivalent O(6)Li2VNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Ni(2), and one Ni(4) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(2)Li2VNi3 octahedra,  an edgeedge with one O(4)Li2VNi3 octahedra,  an edgeedge with one O(6)Li2VNi3 octahedra,  an edgeedge with one O(3)Li3VNi2 octahedra, edges with four equivalent O(1)Li3VNi2 octahedra, and edges with four equivalent O(5)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one V(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2VNi3 octahedra that share  a cornercorner with one O(2)Li2VNi3 octahedra,  a cornercorner with one O(4)Li2VNi3 octahedra,  a cornercorner with one O(6)Li2VNi3 octahedra,  a cornercorner with one O(1)Li3VNi2 octahedra,  a cornercorner with one O(3)Li3VNi2 octahedra,  a cornercorner with one O(5)Li3VNi2 octahedra,  an edgeedge with one O(4)Li2VNi3 octahedra,  an edgeedge with one O(1)Li3VNi2 octahedra,  an edgeedge with one O(3)Li3VNi2 octahedra,  an edgeedge with one O(5)Li3VNi2 octahedra, edges with four equivalent O(2)Li2VNi3 octahedra, and edges with four equivalent O(6)Li2VNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5V2Ni5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.131
_cell_length_b   5.131
_cell_length_c   9.782
_cell_angle_alpha   84.608
_cell_angle_beta   95.392
_cell_angle_gamma   58.736
_symmetry_Int_Tables_number   1
_cell_volume   216.101
_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  0.167  0.675  0.503  1.0
  Li  Li1  1  0.326  0.831  0.995  1.0
  Li  Li2  1  0.675  0.167  0.997  1.0
  Li  Li3  1  0.831  0.326  0.505  1.0
  Li  Li4  1  0.921  0.921  0.750  1.0
  V  V5  1  0.253  0.253  0.750  1.0
  V  V6  1  0.748  0.748  0.250  1.0
  Ni  Ni7  1  0.079  0.079  0.250  1.0
  Ni  Ni8  1  0.996  0.507  0.997  1.0
  Ni  Ni9  1  0.507  0.996  0.503  1.0
  Ni  Ni10  1  0.419  0.419  0.250  1.0
  Ni  Ni11  1  0.582  0.582  0.750  1.0
  O  O12  1  0.982  0.219  0.866  1.0
  O  O13  1  0.219  0.982  0.634  1.0
  O  O14  1  0.105  0.393  0.365  1.0
  O  O15  1  0.393  0.105  0.135  1.0
  O  O16  1  0.292  0.515  0.866  1.0
  O  O17  1  0.515  0.292  0.634  1.0
  O  O18  1  0.473  0.711  0.372  1.0
  O  O19  1  0.711  0.473  0.128  1.0
  O  O20  1  0.599  0.897  0.865  1.0
  O  O21  1  0.897  0.599  0.635  1.0
  O  O22  1  0.787  0.025  0.372  1.0
  O  O23  1  0.025  0.787  0.128  1.0
[/CIF]
.