The material described by Li4V2Ni3Sb3O16 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 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-69°. 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 Sb(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-68°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. 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 Sb(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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. 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 Sb(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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. 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  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. 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 distorted NiO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Sb sites. In the first Sb site, Sb(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 SbO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Sb site, Sb(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. 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 V(1), one Ni(2), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Sb(1) atoms to form distorted OLiVSb2 trigonal pyramids that share  a cornercorner with one O(10)LiNi2Sb tetrahedra, corners with two equivalent O(4)LiNiSb2 tetrahedra, corners with two equivalent O(6)LiVNiSb tetrahedra, and edges with two equivalent O(6)LiVNiSb tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 tetrahedra that share corners with four equivalent O(6)LiVNiSb tetrahedra and corners with two equivalent O(2)LiVSb2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ni(2), and one Sb(2) atom to form distorted corner-sharing OLiNi2Sb tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Ni(1), and one Sb(1) atom to form distorted OLiVNiSb tetrahedra that share  a cornercorner with one O(10)LiNi2Sb tetrahedra,  a cornercorner with one O(6)LiVNiSb tetrahedra, corners with two equivalent O(4)LiNiSb2 tetrahedra,  a cornercorner with one O(2)LiVSb2 trigonal pyramid,  an edgeedge with one O(6)LiVNiSb tetrahedra, and  an edgeedge with one O(2)LiVSb2 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 Sb(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 in a rectangular see-saw-like geometry to one Li(1), one V(2), one Ni(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Ni(2), and one Sb(2) atom to form distorted OLiNi2Sb tetrahedra that share corners with two equivalent O(6)LiVNiSb tetrahedra, corners with three equivalent O(5)LiNi2Sb tetrahedra, and  a cornercorner with one O(2)LiVSb2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Ni(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V2Ni3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   9.735
_cell_angle_alpha   88.698
_cell_angle_beta   88.698
_cell_angle_gamma   60.169
_symmetry_Int_Tables_number   1
_cell_volume   312.817
_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  0.680  0.680  0.113  1.0
  Li  Li1  1  0.979  0.979  0.015  1.0
  Li  Li2  1  0.993  0.993  0.496  1.0
  Li  Li3  1  0.328  0.328  0.596  1.0
  V  V4  1  0.678  0.678  0.502  1.0
  V  V5  1  0.362  0.362  0.035  1.0
  Ni  Ni6  1  0.831  0.831  0.784  1.0
  Ni  Ni7  1  0.165  0.677  0.293  1.0
  Ni  Ni8  1  0.677  0.165  0.293  1.0
  Sb  Sb9  1  0.335  0.836  0.786  1.0
  Sb  Sb10  1  0.836  0.335  0.786  1.0
  Sb  Sb11  1  0.175  0.175  0.287  1.0
  O  O12  1  0.327  0.856  0.400  1.0
  O  O13  1  0.516  0.516  0.665  1.0
  O  O14  1  0.663  0.663  0.899  1.0
  O  O15  1  0.003  0.003  0.685  1.0
  O  O16  1  0.011  0.011  0.193  1.0
  O  O17  1  0.856  0.327  0.400  1.0
  O  O18  1  0.507  0.964  0.662  1.0
  O  O19  1  0.964  0.507  0.662  1.0
  O  O20  1  0.157  0.157  0.899  1.0
  O  O21  1  0.836  0.836  0.406  1.0
  O  O22  1  0.049  0.479  0.148  1.0
  O  O23  1  0.479  0.049  0.148  1.0
  O  O24  1  0.334  0.334  0.392  1.0
  O  O25  1  0.173  0.679  0.902  1.0
  O  O26  1  0.491  0.491  0.141  1.0
  O  O27  1  0.679  0.173  0.902  1.0
[/CIF]
.
The material described by Li4V2Ni3Sb3O16 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 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-69°. 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 Sb(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-68°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. 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 Sb(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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. 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 Sb(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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. 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  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. 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 distorted NiO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Sb sites. In the first Sb site, Sb(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 SbO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Sb site, Sb(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. 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 V(1), one Ni(2), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Sb(1) atoms to form distorted OLiVSb2 trigonal pyramids that share  a cornercorner with one O(10)LiNi2Sb tetrahedra, corners with two equivalent O(4)LiNiSb2 tetrahedra, corners with two equivalent O(6)LiVNiSb tetrahedra, and edges with two equivalent O(6)LiVNiSb tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 tetrahedra that share corners with four equivalent O(6)LiVNiSb tetrahedra and corners with two equivalent O(2)LiVSb2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ni(2), and one Sb(2) atom to form distorted corner-sharing OLiNi2Sb tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Ni(1), and one Sb(1) atom to form distorted OLiVNiSb tetrahedra that share  a cornercorner with one O(10)LiNi2Sb tetrahedra,  a cornercorner with one O(6)LiVNiSb tetrahedra, corners with two equivalent O(4)LiNiSb2 tetrahedra,  a cornercorner with one O(2)LiVSb2 trigonal pyramid,  an edgeedge with one O(6)LiVNiSb tetrahedra, and  an edgeedge with one O(2)LiVSb2 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 Sb(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 in a rectangular see-saw-like geometry to one Li(1), one V(2), one Ni(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Ni(2), and one Sb(2) atom to form distorted OLiNi2Sb tetrahedra that share corners with two equivalent O(6)LiVNiSb tetrahedra, corners with three equivalent O(5)LiNi2Sb tetrahedra, and  a cornercorner with one O(2)LiVSb2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Ni(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V2Ni3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   9.735
_cell_angle_alpha   88.698
_cell_angle_beta   88.698
_cell_angle_gamma   60.169
_symmetry_Int_Tables_number   1
_cell_volume   312.817
_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  0.680  0.680  0.113  1.0
  Li  Li1  1  0.979  0.979  0.015  1.0
  Li  Li2  1  0.993  0.993  0.496  1.0
  Li  Li3  1  0.328  0.328  0.596  1.0
  V  V4  1  0.678  0.678  0.502  1.0
  V  V5  1  0.362  0.362  0.035  1.0
  Ni  Ni6  1  0.831  0.831  0.784  1.0
  Ni  Ni7  1  0.165  0.677  0.293  1.0
  Ni  Ni8  1  0.677  0.165  0.293  1.0
  Sb  Sb9  1  0.335  0.836  0.786  1.0
  Sb  Sb10  1  0.836  0.335  0.786  1.0
  Sb  Sb11  1  0.175  0.175  0.287  1.0
  O  O12  1  0.327  0.856  0.400  1.0
  O  O13  1  0.516  0.516  0.665  1.0
  O  O14  1  0.663  0.663  0.899  1.0
  O  O15  1  0.003  0.003  0.685  1.0
  O  O16  1  0.011  0.011  0.193  1.0
  O  O17  1  0.856  0.327  0.400  1.0
  O  O18  1  0.507  0.964  0.662  1.0
  O  O19  1  0.964  0.507  0.662  1.0
  O  O20  1  0.157  0.157  0.899  1.0
  O  O21  1  0.836  0.836  0.406  1.0
  O  O22  1  0.049  0.479  0.148  1.0
  O  O23  1  0.479  0.049  0.148  1.0
  O  O24  1  0.334  0.334  0.392  1.0
  O  O25  1  0.173  0.679  0.902  1.0
  O  O26  1  0.491  0.491  0.141  1.0
  O  O27  1  0.679  0.173  0.902  1.0
[/CIF]
.