The material described by Li4Nb2V3Fe3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-68°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-69°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Nb site, Nb(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Nb(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 Nb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) 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(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) 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(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(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 Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Fe site, Fe(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(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 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 52-55°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom 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 two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are sixteen 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(3) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), one Fe(1), and one Fe(2) atom to form OLiNbFe2 tetrahedra that share corners with two equivalent O(4)LiVFe2 tetrahedra,  a cornercorner with one O(7)LiNbVFe trigonal pyramid,  a cornercorner with one O(8)LiNbVFe trigonal pyramid,  an edgeedge with one O(7)LiNbVFe trigonal pyramid, and  an edgeedge with one O(8)LiNbVFe trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(1), one Fe(1), and one Fe(2) atom to form OLiVFe2 tetrahedra that share corners with two equivalent O(2)LiNbFe2 tetrahedra, corners with two equivalent O(7)LiNbVFe trigonal pyramids, and corners with two equivalent O(8)LiNbVFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one V(2), one V(3), and one Fe(3) atom to form corner-sharing OLiV2Fe tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one V(3), and one Fe(3) atom. In the seventh O site, O(7) 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(8)LiNbVFe trigonal pyramid,  an edgeedge with one O(2)LiNbFe2 tetrahedra, and  an edgeedge with one O(8)LiNbVFe trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), one Nb(1), one V(1), and one Fe(2) 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(7)LiNbVFe trigonal pyramid,  an edgeedge with one O(2)LiNbFe2 tetrahedra, and  an edgeedge with one O(7)LiNbVFe trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one Fe(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one V(2), and one V(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Nb(2), one V(2), and one Fe(3) atom to form distorted OLiNbVFe tetrahedra that share corners with two equivalent O(5)LiV2Fe tetrahedra,  a cornercorner with one O(12)LiNbVFe trigonal pyramid, and  an edgeedge with one O(12)LiNbVFe trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), one V(3), and one Fe(3) atom to form distorted OLiNbVFe trigonal pyramids that share  a cornercorner with one O(11)LiNbVFe tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra, and  an edgeedge with one O(11)LiNbVFe tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Fe(3) atom. In the fourteenth O site, O(14) 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 fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one V(2), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Li4Nb2V3Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.024
_cell_length_c   9.785
_cell_angle_alpha   89.956
_cell_angle_beta   90.269
_cell_angle_gamma   119.393
_symmetry_Int_Tables_number   1
_cell_volume   308.315
_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  0.657  0.331  0.900  1.0
  Li  Li1  1  0.010  0.005  0.990  1.0
  Li  Li2  1  0.010  0.002  0.491  1.0
  Li  Li3  1  0.325  0.661  0.399  1.0
  Nb  Nb4  1  0.676  0.341  0.497  1.0
  Nb  Nb5  1  0.339  0.672  0.998  1.0
  V  V6  1  0.351  0.176  0.223  1.0
  V  V7  1  0.175  0.345  0.715  1.0
  V  V8  1  0.179  0.826  0.722  1.0
  Fe  Fe9  1  0.833  0.174  0.215  1.0
  Fe  Fe10  1  0.829  0.660  0.214  1.0
  Fe  Fe11  1  0.661  0.833  0.714  1.0
  O  O12  1  0.842  0.170  0.590  1.0
  O  O13  1  0.954  0.467  0.343  1.0
  O  O14  1  0.632  0.306  0.107  1.0
  O  O15  1  0.023  0.020  0.301  1.0
  O  O16  1  0.022  0.001  0.801  1.0
  O  O17  1  0.842  0.664  0.587  1.0
  O  O18  1  0.513  0.033  0.339  1.0
  O  O19  1  0.499  0.460  0.349  1.0
  O  O20  1  0.671  0.843  0.089  1.0
  O  O21  1  0.345  0.164  0.595  1.0
  O  O22  1  0.466  0.513  0.845  1.0
  O  O23  1  0.462  0.960  0.848  1.0
  O  O24  1  0.306  0.668  0.606  1.0
  O  O25  1  0.166  0.338  0.094  1.0
  O  O26  1  0.033  0.529  0.843  1.0
  O  O27  1  0.178  0.838  0.091  1.0
[/CIF]
.
The material described by Li4Nb2V3Fe3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-68°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-69°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Nb site, Nb(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Nb(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 Nb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) 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(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) 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(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(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 Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Fe site, Fe(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(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 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 52-55°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom 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 two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are sixteen 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(3) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), one Fe(1), and one Fe(2) atom to form OLiNbFe2 tetrahedra that share corners with two equivalent O(4)LiVFe2 tetrahedra,  a cornercorner with one O(7)LiNbVFe trigonal pyramid,  a cornercorner with one O(8)LiNbVFe trigonal pyramid,  an edgeedge with one O(7)LiNbVFe trigonal pyramid, and  an edgeedge with one O(8)LiNbVFe trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(1), one Fe(1), and one Fe(2) atom to form OLiVFe2 tetrahedra that share corners with two equivalent O(2)LiNbFe2 tetrahedra, corners with two equivalent O(7)LiNbVFe trigonal pyramids, and corners with two equivalent O(8)LiNbVFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one V(2), one V(3), and one Fe(3) atom to form corner-sharing OLiV2Fe tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one V(3), and one Fe(3) atom. In the seventh O site, O(7) 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(8)LiNbVFe trigonal pyramid,  an edgeedge with one O(2)LiNbFe2 tetrahedra, and  an edgeedge with one O(8)LiNbVFe trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), one Nb(1), one V(1), and one Fe(2) 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(7)LiNbVFe trigonal pyramid,  an edgeedge with one O(2)LiNbFe2 tetrahedra, and  an edgeedge with one O(7)LiNbVFe trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one Fe(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one V(2), and one V(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Nb(2), one V(2), and one Fe(3) atom to form distorted OLiNbVFe tetrahedra that share corners with two equivalent O(5)LiV2Fe tetrahedra,  a cornercorner with one O(12)LiNbVFe trigonal pyramid, and  an edgeedge with one O(12)LiNbVFe trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), one V(3), and one Fe(3) atom to form distorted OLiNbVFe trigonal pyramids that share  a cornercorner with one O(11)LiNbVFe tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra, and  an edgeedge with one O(11)LiNbVFe tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Fe(3) atom. In the fourteenth O site, O(14) 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 fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one V(2), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Li4Nb2V3Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.024
_cell_length_c   9.785
_cell_angle_alpha   89.956
_cell_angle_beta   90.269
_cell_angle_gamma   119.393
_symmetry_Int_Tables_number   1
_cell_volume   308.315
_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  0.657  0.331  0.900  1.0
  Li  Li1  1  0.010  0.005  0.990  1.0
  Li  Li2  1  0.010  0.002  0.491  1.0
  Li  Li3  1  0.325  0.661  0.399  1.0
  Nb  Nb4  1  0.676  0.341  0.497  1.0
  Nb  Nb5  1  0.339  0.672  0.998  1.0
  V  V6  1  0.351  0.176  0.223  1.0
  V  V7  1  0.175  0.345  0.715  1.0
  V  V8  1  0.179  0.826  0.722  1.0
  Fe  Fe9  1  0.833  0.174  0.215  1.0
  Fe  Fe10  1  0.829  0.660  0.214  1.0
  Fe  Fe11  1  0.661  0.833  0.714  1.0
  O  O12  1  0.842  0.170  0.590  1.0
  O  O13  1  0.954  0.467  0.343  1.0
  O  O14  1  0.632  0.306  0.107  1.0
  O  O15  1  0.023  0.020  0.301  1.0
  O  O16  1  0.022  0.001  0.801  1.0
  O  O17  1  0.842  0.664  0.587  1.0
  O  O18  1  0.513  0.033  0.339  1.0
  O  O19  1  0.499  0.460  0.349  1.0
  O  O20  1  0.671  0.843  0.089  1.0
  O  O21  1  0.345  0.164  0.595  1.0
  O  O22  1  0.466  0.513  0.845  1.0
  O  O23  1  0.462  0.960  0.848  1.0
  O  O24  1  0.306  0.668  0.606  1.0
  O  O25  1  0.166  0.338  0.094  1.0
  O  O26  1  0.033  0.529  0.843  1.0
  O  O27  1  0.178  0.838  0.091  1.0
[/CIF]
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