The crystal structure described by Li4Ti3V3(NiO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-54°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Ni(1) atom to form distorted OLiTi2Ni tetrahedra that share corners with two equivalent O(4)LiTi2V tetrahedra, corners with two equivalent O(6)LiTiVNi tetrahedra, and edges with two equivalent O(6)LiTiVNi tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one V(1) atom to form distorted OLiTi2V tetrahedra that share corners with two equivalent O(2)LiTi2Ni tetrahedra and corners with four equivalent O(6)LiTiVNi tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent V(2) atoms to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(12)LiV2Ni tetrahedra and corners with four equivalent O(9)LiTiVNi tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one V(1), and one Ni(1) atom to form distorted OLiTiVNi tetrahedra that share  a cornercorner with one O(2)LiTi2Ni tetrahedra,  a cornercorner with one O(6)LiTiVNi tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  an edgeedge with one O(2)LiTi2Ni tetrahedra, and  an edgeedge with one O(6)LiTiVNi tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent V(2), and one Ni(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one V(2), and one Ni(2) atom to form distorted OLiTiVNi tetrahedra that share  a cornercorner with one O(9)LiTiVNi tetrahedra,  a cornercorner with one O(12)LiV2Ni tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  an edgeedge with one O(9)LiTiVNi tetrahedra, and  an edgeedge with one O(12)LiV2Ni tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent V(2), and one Ni(2) atom to form distorted OLiV2Ni tetrahedra that share corners with two equivalent O(5)LiTiV2 tetrahedra, corners with two equivalent O(9)LiTiVNi tetrahedra, and edges with two equivalent O(9)LiTiVNi tetrahedra. is represented by the CIF file [CIF]
data_Li4Ti3V3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   5.900
_cell_length_c   9.696
_cell_angle_alpha   89.527
_cell_angle_beta   89.527
_cell_angle_gamma   60.376
_symmetry_Int_Tables_number   1
_cell_volume   293.376
_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  0.337  0.337  0.109  1.0
  Li  Li1  1  0.003  0.003  0.001  1.0
  Li  Li2  1  0.007  0.007  0.501  1.0
  Li  Li3  1  0.669  0.669  0.608  1.0
  Ti  Ti4  1  0.659  0.168  0.784  1.0
  Ti  Ti5  1  0.168  0.659  0.784  1.0
  Ti  Ti6  1  0.829  0.829  0.277  1.0
  V  V7  1  0.169  0.169  0.790  1.0
  V  V8  1  0.334  0.833  0.289  1.0
  V  V9  1  0.833  0.334  0.289  1.0
  Ni  Ni10  1  0.335  0.335  0.511  1.0
  Ni  Ni11  1  0.667  0.667  0.011  1.0
  O  O12  1  0.684  0.172  0.393  1.0
  O  O13  1  0.485  0.485  0.669  1.0
  O  O14  1  0.337  0.337  0.897  1.0
  O  O15  1  0.002  0.002  0.685  1.0
  O  O16  1  0.003  0.003  0.185  1.0
  O  O17  1  0.172  0.684  0.393  1.0
  O  O18  1  0.486  0.040  0.668  1.0
  O  O19  1  0.040  0.486  0.668  1.0
  O  O20  1  0.842  0.842  0.895  1.0
  O  O21  1  0.165  0.165  0.391  1.0
  O  O22  1  0.966  0.521  0.171  1.0
  O  O23  1  0.521  0.966  0.171  1.0
  O  O24  1  0.672  0.672  0.396  1.0
  O  O25  1  0.839  0.326  0.892  1.0
  O  O26  1  0.521  0.521  0.169  1.0
  O  O27  1  0.326  0.839  0.892  1.0
[/CIF]
.
The crystal structure described by Li4Ti3V3(NiO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-54°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Ni(1) atom to form distorted OLiTi2Ni tetrahedra that share corners with two equivalent O(4)LiTi2V tetrahedra, corners with two equivalent O(6)LiTiVNi tetrahedra, and edges with two equivalent O(6)LiTiVNi tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one V(1) atom to form distorted OLiTi2V tetrahedra that share corners with two equivalent O(2)LiTi2Ni tetrahedra and corners with four equivalent O(6)LiTiVNi tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent V(2) atoms to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(12)LiV2Ni tetrahedra and corners with four equivalent O(9)LiTiVNi tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one V(1), and one Ni(1) atom to form distorted OLiTiVNi tetrahedra that share  a cornercorner with one O(2)LiTi2Ni tetrahedra,  a cornercorner with one O(6)LiTiVNi tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  an edgeedge with one O(2)LiTi2Ni tetrahedra, and  an edgeedge with one O(6)LiTiVNi tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent V(2), and one Ni(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one V(2), and one Ni(2) atom to form distorted OLiTiVNi tetrahedra that share  a cornercorner with one O(9)LiTiVNi tetrahedra,  a cornercorner with one O(12)LiV2Ni tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  an edgeedge with one O(9)LiTiVNi tetrahedra, and  an edgeedge with one O(12)LiV2Ni tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent V(2), and one Ni(2) atom to form distorted OLiV2Ni tetrahedra that share corners with two equivalent O(5)LiTiV2 tetrahedra, corners with two equivalent O(9)LiTiVNi tetrahedra, and edges with two equivalent O(9)LiTiVNi tetrahedra. is represented by the CIF file [CIF]
data_Li4Ti3V3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   5.900
_cell_length_c   9.696
_cell_angle_alpha   89.527
_cell_angle_beta   89.527
_cell_angle_gamma   60.376
_symmetry_Int_Tables_number   1
_cell_volume   293.376
_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  0.337  0.337  0.109  1.0
  Li  Li1  1  0.003  0.003  0.001  1.0
  Li  Li2  1  0.007  0.007  0.501  1.0
  Li  Li3  1  0.669  0.669  0.608  1.0
  Ti  Ti4  1  0.659  0.168  0.784  1.0
  Ti  Ti5  1  0.168  0.659  0.784  1.0
  Ti  Ti6  1  0.829  0.829  0.277  1.0
  V  V7  1  0.169  0.169  0.790  1.0
  V  V8  1  0.334  0.833  0.289  1.0
  V  V9  1  0.833  0.334  0.289  1.0
  Ni  Ni10  1  0.335  0.335  0.511  1.0
  Ni  Ni11  1  0.667  0.667  0.011  1.0
  O  O12  1  0.684  0.172  0.393  1.0
  O  O13  1  0.485  0.485  0.669  1.0
  O  O14  1  0.337  0.337  0.897  1.0
  O  O15  1  0.002  0.002  0.685  1.0
  O  O16  1  0.003  0.003  0.185  1.0
  O  O17  1  0.172  0.684  0.393  1.0
  O  O18  1  0.486  0.040  0.668  1.0
  O  O19  1  0.040  0.486  0.668  1.0
  O  O20  1  0.842  0.842  0.895  1.0
  O  O21  1  0.165  0.165  0.391  1.0
  O  O22  1  0.966  0.521  0.171  1.0
  O  O23  1  0.521  0.966  0.171  1.0
  O  O24  1  0.672  0.672  0.396  1.0
  O  O25  1  0.839  0.326  0.892  1.0
  O  O26  1  0.521  0.521  0.169  1.0
  O  O27  1  0.326  0.839  0.892  1.0
[/CIF]
.