The material described by Li4V2Co3Ni3O16 is Hausmannite-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 Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. 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 Co(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-68°. 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 Co(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent V(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 V(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 47°. In the second Ni site, Ni(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 NiO6 octahedra that share corners with two equivalent V(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 V(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one Co(2), and one Ni(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Co(1) atoms to form distorted OLiVCo2 tetrahedra that share corners with two equivalent O(4)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiVCoNi tetrahedra, edges with two equivalent O(6)LiVCoNi tetrahedra, and  an edgeedge with one O(3)LiCo2Ni trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Co(1), and one Ni(1) atom to form distorted OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(12)LiVNi2 tetrahedra, corners with three equivalent O(4)LiCo2Ni tetrahedra, corners with two equivalent O(9)LiVCoNi trigonal pyramids,  an edgeedge with one O(2)LiVCo2 tetrahedra, and edges with two equivalent O(6)LiVCoNi tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Co(1), and one Ni(1) atom to form OLiCo2Ni tetrahedra that share corners with two equivalent O(2)LiVCo2 tetrahedra, corners with four equivalent O(6)LiVCoNi tetrahedra, and corners with three equivalent O(3)LiCo2Ni trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), and two equivalent Ni(2) atoms to form OLiCoNi2 tetrahedra that share corners with two equivalent O(12)LiVNi2 tetrahedra and corners with four equivalent O(9)LiVCoNi trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Co(1), and one Ni(1) atom to form distorted OLiVCoNi tetrahedra that share  a cornercorner with one O(2)LiVCo2 tetrahedra,  a cornercorner with one O(6)LiVCoNi tetrahedra, corners with two equivalent O(4)LiCo2Ni tetrahedra,  an edgeedge with one O(2)LiVCo2 tetrahedra,  an edgeedge with one O(6)LiVCoNi tetrahedra, and  an edgeedge with one O(3)LiCo2Ni trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Co(2), and one Ni(2) atom to form distorted OLiVCoNi trigonal pyramids that share  a cornercorner with one O(12)LiVNi2 tetrahedra, corners with two equivalent O(5)LiCoNi2 tetrahedra,  a cornercorner with one O(3)LiCo2Ni trigonal pyramid,  a cornercorner with one O(9)LiVCoNi trigonal pyramid,  an edgeedge with one O(12)LiVNi2 tetrahedra, and  an edgeedge with one O(9)LiVCoNi trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Co(1), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(2), and two equivalent Ni(2) atoms to form distorted OLiVNi2 tetrahedra that share corners with two equivalent O(5)LiCoNi2 tetrahedra,  a cornercorner with one O(3)LiCo2Ni trigonal pyramid, corners with two equivalent O(9)LiVCoNi trigonal pyramids, and edges with two equivalent O(9)LiVCoNi trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V2Co3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   5.843
_cell_length_c   9.359
_cell_angle_alpha   88.900
_cell_angle_beta   88.900
_cell_angle_gamma   59.326
_symmetry_Int_Tables_number   1
_cell_volume   274.699
_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  0.336  0.336  0.901  1.0
  Li  Li1  1  0.994  0.994  0.990  1.0
  Li  Li2  1  0.992  0.992  0.496  1.0
  Li  Li3  1  0.671  0.671  0.398  1.0
  V  V4  1  0.332  0.332  0.499  1.0
  V  V5  1  0.647  0.647  0.987  1.0
  Co  Co6  1  0.165  0.654  0.216  1.0
  Co  Co7  1  0.654  0.165  0.216  1.0
  Co  Co8  1  0.824  0.824  0.723  1.0
  Ni  Ni9  1  0.168  0.168  0.213  1.0
  Ni  Ni10  1  0.341  0.829  0.712  1.0
  Ni  Ni11  1  0.829  0.341  0.712  1.0
  O  O12  1  0.169  0.647  0.592  1.0
  O  O13  1  0.478  0.478  0.333  1.0
  O  O14  1  0.344  0.344  0.111  1.0
  O  O15  1  0.988  0.988  0.303  1.0
  O  O16  1  0.989  0.989  0.798  1.0
  O  O17  1  0.647  0.169  0.592  1.0
  O  O18  1  0.044  0.496  0.343  1.0
  O  O19  1  0.496  0.044  0.343  1.0
  O  O20  1  0.834  0.834  0.106  1.0
  O  O21  1  0.171  0.171  0.577  1.0
  O  O22  1  0.539  0.958  0.849  1.0
  O  O23  1  0.958  0.539  0.849  1.0
  O  O24  1  0.679  0.679  0.608  1.0
  O  O25  1  0.340  0.823  0.092  1.0
  O  O26  1  0.521  0.521  0.858  1.0
  O  O27  1  0.823  0.340  0.092  1.0
[/CIF]
.
The material described by Li4V2Co3Ni3O16 is Hausmannite-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 Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. 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 Co(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-68°. 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 Co(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent V(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 V(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 47°. In the second Ni site, Ni(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 NiO6 octahedra that share corners with two equivalent V(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 V(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one Co(2), and one Ni(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Co(1) atoms to form distorted OLiVCo2 tetrahedra that share corners with two equivalent O(4)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiVCoNi tetrahedra, edges with two equivalent O(6)LiVCoNi tetrahedra, and  an edgeedge with one O(3)LiCo2Ni trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Co(1), and one Ni(1) atom to form distorted OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(12)LiVNi2 tetrahedra, corners with three equivalent O(4)LiCo2Ni tetrahedra, corners with two equivalent O(9)LiVCoNi trigonal pyramids,  an edgeedge with one O(2)LiVCo2 tetrahedra, and edges with two equivalent O(6)LiVCoNi tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Co(1), and one Ni(1) atom to form OLiCo2Ni tetrahedra that share corners with two equivalent O(2)LiVCo2 tetrahedra, corners with four equivalent O(6)LiVCoNi tetrahedra, and corners with three equivalent O(3)LiCo2Ni trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), and two equivalent Ni(2) atoms to form OLiCoNi2 tetrahedra that share corners with two equivalent O(12)LiVNi2 tetrahedra and corners with four equivalent O(9)LiVCoNi trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Co(1), and one Ni(1) atom to form distorted OLiVCoNi tetrahedra that share  a cornercorner with one O(2)LiVCo2 tetrahedra,  a cornercorner with one O(6)LiVCoNi tetrahedra, corners with two equivalent O(4)LiCo2Ni tetrahedra,  an edgeedge with one O(2)LiVCo2 tetrahedra,  an edgeedge with one O(6)LiVCoNi tetrahedra, and  an edgeedge with one O(3)LiCo2Ni trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Co(2), and one Ni(2) atom to form distorted OLiVCoNi trigonal pyramids that share  a cornercorner with one O(12)LiVNi2 tetrahedra, corners with two equivalent O(5)LiCoNi2 tetrahedra,  a cornercorner with one O(3)LiCo2Ni trigonal pyramid,  a cornercorner with one O(9)LiVCoNi trigonal pyramid,  an edgeedge with one O(12)LiVNi2 tetrahedra, and  an edgeedge with one O(9)LiVCoNi trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Co(1), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(2), and two equivalent Ni(2) atoms to form distorted OLiVNi2 tetrahedra that share corners with two equivalent O(5)LiCoNi2 tetrahedra,  a cornercorner with one O(3)LiCo2Ni trigonal pyramid, corners with two equivalent O(9)LiVCoNi trigonal pyramids, and edges with two equivalent O(9)LiVCoNi trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V2Co3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   5.843
_cell_length_c   9.359
_cell_angle_alpha   88.900
_cell_angle_beta   88.900
_cell_angle_gamma   59.326
_symmetry_Int_Tables_number   1
_cell_volume   274.699
_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  0.336  0.336  0.901  1.0
  Li  Li1  1  0.994  0.994  0.990  1.0
  Li  Li2  1  0.992  0.992  0.496  1.0
  Li  Li3  1  0.671  0.671  0.398  1.0
  V  V4  1  0.332  0.332  0.499  1.0
  V  V5  1  0.647  0.647  0.987  1.0
  Co  Co6  1  0.165  0.654  0.216  1.0
  Co  Co7  1  0.654  0.165  0.216  1.0
  Co  Co8  1  0.824  0.824  0.723  1.0
  Ni  Ni9  1  0.168  0.168  0.213  1.0
  Ni  Ni10  1  0.341  0.829  0.712  1.0
  Ni  Ni11  1  0.829  0.341  0.712  1.0
  O  O12  1  0.169  0.647  0.592  1.0
  O  O13  1  0.478  0.478  0.333  1.0
  O  O14  1  0.344  0.344  0.111  1.0
  O  O15  1  0.988  0.988  0.303  1.0
  O  O16  1  0.989  0.989  0.798  1.0
  O  O17  1  0.647  0.169  0.592  1.0
  O  O18  1  0.044  0.496  0.343  1.0
  O  O19  1  0.496  0.044  0.343  1.0
  O  O20  1  0.834  0.834  0.106  1.0
  O  O21  1  0.171  0.171  0.577  1.0
  O  O22  1  0.539  0.958  0.849  1.0
  O  O23  1  0.958  0.539  0.849  1.0
  O  O24  1  0.679  0.679  0.608  1.0
  O  O25  1  0.340  0.823  0.092  1.0
  O  O26  1  0.521  0.521  0.858  1.0
  O  O27  1  0.823  0.340  0.092  1.0
[/CIF]
.