The crystal structure described by Li4Nb2V3Fe3O16 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 Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. 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 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-69°. 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 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. 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 Fe(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. 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 Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Nb(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. 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 Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. 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 Nb(1), one V(2), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Fe(1) atoms to form distorted OLiNbFe2 tetrahedra that share corners with two equivalent O(4)LiVFe2 tetrahedra, corners with two equivalent O(6)LiNbVFe trigonal pyramids, and edges with two equivalent O(6)LiNbVFe trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one V(1), and two equivalent Fe(1) atoms to form OLiVFe2 tetrahedra that share corners with two equivalent O(2)LiNbFe2 tetrahedra and corners with four equivalent O(6)LiNbVFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(2), and one Fe(2) atom to form OLiV2Fe tetrahedra that share corners with four equivalent O(9)LiNbVFe tetrahedra and corners with two equivalent O(12)LiNbV2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Nb(1), one V(1), and one Fe(1) atom to form distorted OLiNbVFe trigonal pyramids that share  a cornercorner with one O(2)LiNbFe2 tetrahedra, corners with two equivalent O(4)LiVFe2 tetrahedra,  a cornercorner with one O(6)LiNbVFe trigonal pyramid,  an edgeedge with one O(2)LiNbFe2 tetrahedra, and  an edgeedge with one O(6)LiNbVFe trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), and two equivalent Fe(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent V(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Nb(2), one V(2), and one Fe(2) atom to form distorted OLiNbVFe tetrahedra that share  a cornercorner with one O(9)LiNbVFe tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra,  a cornercorner with one O(12)LiNbV2 trigonal pyramid,  an edgeedge with one O(9)LiNbVFe tetrahedra, and  an edgeedge with one O(12)LiNbV2 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent V(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), and two equivalent V(2) atoms to form distorted OLiNbV2 trigonal pyramids that share corners with two equivalent O(9)LiNbVFe tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra, and edges with two equivalent O(9)LiNbVFe tetrahedra. is represented by the CIF file [CIF]
data_Li4Nb2V3Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.944
_cell_length_b   5.865
_cell_length_c   9.774
_cell_angle_alpha   90.031
_cell_angle_beta   89.385
_cell_angle_gamma   119.528
_symmetry_Int_Tables_number   1
_cell_volume   296.502
_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  0.339  0.669  0.900  1.0
  Li  Li1  1  0.998  0.999  0.990  1.0
  Li  Li2  1  0.996  0.998  0.491  1.0
  Li  Li3  1  0.673  0.336  0.399  1.0
  Nb  Nb4  1  0.335  0.668  0.495  1.0
  Nb  Nb5  1  0.660  0.330  0.998  1.0
  V  V6  1  0.654  0.827  0.222  1.0
  V  V7  1  0.826  0.646  0.718  1.0
  V  V8  1  0.826  0.179  0.718  1.0
  Fe  Fe9  1  0.164  0.816  0.215  1.0
  Fe  Fe10  1  0.164  0.348  0.215  1.0
  Fe  Fe11  1  0.337  0.168  0.715  1.0
  O  O12  1  0.162  0.831  0.594  1.0
  O  O13  1  0.039  0.519  0.350  1.0
  O  O14  1  0.369  0.684  0.107  1.0
  O  O15  1  0.978  0.989  0.302  1.0
  O  O16  1  0.977  0.989  0.802  1.0
  O  O17  1  0.162  0.331  0.594  1.0
  O  O18  1  0.490  0.967  0.344  1.0
  O  O19  1  0.491  0.524  0.344  1.0
  O  O20  1  0.329  0.164  0.089  1.0
  O  O21  1  0.665  0.833  0.598  1.0
  O  O22  1  0.527  0.487  0.840  1.0
  O  O23  1  0.527  0.040  0.840  1.0
  O  O24  1  0.685  0.343  0.602  1.0
  O  O25  1  0.830  0.666  0.092  1.0
  O  O26  1  0.970  0.485  0.842  1.0
  O  O27  1  0.830  0.164  0.092  1.0
[/CIF]
.
The crystal structure described by Li4Nb2V3Fe3O16 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 Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. 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 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-69°. 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 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. 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 Fe(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. 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 Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Nb(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. 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 Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. 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 Nb(1), one V(2), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Fe(1) atoms to form distorted OLiNbFe2 tetrahedra that share corners with two equivalent O(4)LiVFe2 tetrahedra, corners with two equivalent O(6)LiNbVFe trigonal pyramids, and edges with two equivalent O(6)LiNbVFe trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one V(1), and two equivalent Fe(1) atoms to form OLiVFe2 tetrahedra that share corners with two equivalent O(2)LiNbFe2 tetrahedra and corners with four equivalent O(6)LiNbVFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(2), and one Fe(2) atom to form OLiV2Fe tetrahedra that share corners with four equivalent O(9)LiNbVFe tetrahedra and corners with two equivalent O(12)LiNbV2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Nb(1), one V(1), and one Fe(1) atom to form distorted OLiNbVFe trigonal pyramids that share  a cornercorner with one O(2)LiNbFe2 tetrahedra, corners with two equivalent O(4)LiVFe2 tetrahedra,  a cornercorner with one O(6)LiNbVFe trigonal pyramid,  an edgeedge with one O(2)LiNbFe2 tetrahedra, and  an edgeedge with one O(6)LiNbVFe trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), and two equivalent Fe(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent V(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Nb(2), one V(2), and one Fe(2) atom to form distorted OLiNbVFe tetrahedra that share  a cornercorner with one O(9)LiNbVFe tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra,  a cornercorner with one O(12)LiNbV2 trigonal pyramid,  an edgeedge with one O(9)LiNbVFe tetrahedra, and  an edgeedge with one O(12)LiNbV2 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent V(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), and two equivalent V(2) atoms to form distorted OLiNbV2 trigonal pyramids that share corners with two equivalent O(9)LiNbVFe tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra, and edges with two equivalent O(9)LiNbVFe tetrahedra. is represented by the CIF file [CIF]
data_Li4Nb2V3Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.944
_cell_length_b   5.865
_cell_length_c   9.774
_cell_angle_alpha   90.031
_cell_angle_beta   89.385
_cell_angle_gamma   119.528
_symmetry_Int_Tables_number   1
_cell_volume   296.502
_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  0.339  0.669  0.900  1.0
  Li  Li1  1  0.998  0.999  0.990  1.0
  Li  Li2  1  0.996  0.998  0.491  1.0
  Li  Li3  1  0.673  0.336  0.399  1.0
  Nb  Nb4  1  0.335  0.668  0.495  1.0
  Nb  Nb5  1  0.660  0.330  0.998  1.0
  V  V6  1  0.654  0.827  0.222  1.0
  V  V7  1  0.826  0.646  0.718  1.0
  V  V8  1  0.826  0.179  0.718  1.0
  Fe  Fe9  1  0.164  0.816  0.215  1.0
  Fe  Fe10  1  0.164  0.348  0.215  1.0
  Fe  Fe11  1  0.337  0.168  0.715  1.0
  O  O12  1  0.162  0.831  0.594  1.0
  O  O13  1  0.039  0.519  0.350  1.0
  O  O14  1  0.369  0.684  0.107  1.0
  O  O15  1  0.978  0.989  0.302  1.0
  O  O16  1  0.977  0.989  0.802  1.0
  O  O17  1  0.162  0.331  0.594  1.0
  O  O18  1  0.490  0.967  0.344  1.0
  O  O19  1  0.491  0.524  0.344  1.0
  O  O20  1  0.329  0.164  0.089  1.0
  O  O21  1  0.665  0.833  0.598  1.0
  O  O22  1  0.527  0.487  0.840  1.0
  O  O23  1  0.527  0.040  0.840  1.0
  O  O24  1  0.685  0.343  0.602  1.0
  O  O25  1  0.830  0.666  0.092  1.0
  O  O26  1  0.970  0.485  0.842  1.0
  O  O27  1  0.830  0.164  0.092  1.0
[/CIF]
.