The crystal structure described by Li4Nb2V3Cr3O16 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 Cr(1)O6 octahedra, corners with two equivalent Cr(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 58-61°. 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 Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. 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 V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. 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 Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. 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 Cr(2)O6 octahedra, corners with four equivalent V(2)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, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 NbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. 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,  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 four equivalent Cr(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 Cr(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 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 Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 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 tetrahedra. The corner-sharing octahedral tilt angles are 51°. 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 Cr(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Cr(1) atoms to form distorted OLiNbCr2 tetrahedra that share corners with two equivalent O(6)LiNbVCr tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra,  a cornercorner with one O(10)LiV2Cr trigonal pyramid, edges with two equivalent O(6)LiNbVCr tetrahedra, and  an edgeedge with one O(3)LiVCr2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one V(1), and two equivalent Cr(1) atoms to form distorted OLiVCr2 trigonal pyramids that share corners with two equivalent O(9)LiNbVCr tetrahedra, corners with three equivalent O(4)LiVCr2 tetrahedra,  an edgeedge with one O(2)LiNbCr2 tetrahedra, and edges with two equivalent O(6)LiNbVCr tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one V(1), and two equivalent Cr(1) atoms to form OLiVCr2 tetrahedra that share corners with two equivalent O(2)LiNbCr2 tetrahedra, corners with four equivalent O(6)LiNbVCr tetrahedra, and corners with three equivalent O(3)LiVCr2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(2), and one Cr(2) atom to form OLiV2Cr tetrahedra that share corners with four equivalent O(9)LiNbVCr tetrahedra and corners with three equivalent O(10)LiV2Cr trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Nb(1), one V(1), and one Cr(1) atom to form distorted OLiNbVCr tetrahedra that share  a cornercorner with one O(2)LiNbCr2 tetrahedra,  a cornercorner with one O(6)LiNbVCr tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra,  a cornercorner with one O(10)LiV2Cr trigonal pyramid,  an edgeedge with one O(2)LiNbCr2 tetrahedra,  an edgeedge with one O(6)LiNbVCr tetrahedra, and  an edgeedge with one O(3)LiVCr2 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 Cr(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 Cr(2) atom to form distorted OLiNbVCr tetrahedra that share  a cornercorner with one O(9)LiNbVCr tetrahedra, corners with two equivalent O(5)LiV2Cr tetrahedra,  a cornercorner with one O(3)LiVCr2 trigonal pyramid,  an edgeedge with one O(9)LiNbVCr tetrahedra, and  an edgeedge with one O(10)LiV2Cr trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), two equivalent V(2), and one Cr(2) atom to form distorted OLiV2Cr trigonal pyramids that share  a cornercorner with one O(2)LiNbCr2 tetrahedra, corners with two equivalent O(6)LiNbVCr tetrahedra, corners with three equivalent O(5)LiV2Cr tetrahedra, and edges with two equivalent O(9)LiNbVCr tetrahedra. 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 Cr(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_Li4Nb2V3Cr3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.020
_cell_length_b   6.020
_cell_length_c   9.684
_cell_angle_alpha   89.550
_cell_angle_beta   89.550
_cell_angle_gamma   59.822
_symmetry_Int_Tables_number   1
_cell_volume   303.416
_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  0.667  0.667  0.099  1.0
  Li  Li1  1  0.001  0.001  0.008  1.0
  Li  Li2  1  0.001  0.001  0.508  1.0
  Li  Li3  1  0.332  0.332  0.602  1.0
  Nb  Nb4  1  0.666  0.666  0.507  1.0
  Nb  Nb5  1  0.331  0.331  0.005  1.0
  V  V6  1  0.829  0.829  0.782  1.0
  V  V7  1  0.172  0.657  0.284  1.0
  V  V8  1  0.657  0.172  0.284  1.0
  Cr  Cr9  1  0.341  0.829  0.785  1.0
  Cr  Cr10  1  0.829  0.341  0.785  1.0
  Cr  Cr11  1  0.169  0.169  0.285  1.0
  O  O12  1  0.336  0.832  0.407  1.0
  O  O13  1  0.520  0.520  0.661  1.0
  O  O14  1  0.667  0.667  0.891  1.0
  O  O15  1  0.999  0.999  0.695  1.0
  O  O16  1  1.000  1.000  0.195  1.0
  O  O17  1  0.832  0.336  0.407  1.0
  O  O18  1  0.516  0.959  0.656  1.0
  O  O19  1  0.959  0.516  0.656  1.0
  O  O20  1  0.166  0.166  0.905  1.0
  O  O21  1  0.832  0.832  0.409  1.0
  O  O22  1  0.040  0.477  0.157  1.0
  O  O23  1  0.477  0.040  0.157  1.0
  O  O24  1  0.333  0.333  0.392  1.0
  O  O25  1  0.170  0.664  0.907  1.0
  O  O26  1  0.480  0.480  0.155  1.0
  O  O27  1  0.664  0.170  0.907  1.0
[/CIF]
.
The crystal structure described by Li4Nb2V3Cr3O16 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 Cr(1)O6 octahedra, corners with two equivalent Cr(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 58-61°. 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 Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. 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 V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. 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 Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. 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 Cr(2)O6 octahedra, corners with four equivalent V(2)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, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 NbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. 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,  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 four equivalent Cr(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 Cr(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 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 Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 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 tetrahedra. The corner-sharing octahedral tilt angles are 51°. 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 Cr(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Cr(1) atoms to form distorted OLiNbCr2 tetrahedra that share corners with two equivalent O(6)LiNbVCr tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra,  a cornercorner with one O(10)LiV2Cr trigonal pyramid, edges with two equivalent O(6)LiNbVCr tetrahedra, and  an edgeedge with one O(3)LiVCr2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one V(1), and two equivalent Cr(1) atoms to form distorted OLiVCr2 trigonal pyramids that share corners with two equivalent O(9)LiNbVCr tetrahedra, corners with three equivalent O(4)LiVCr2 tetrahedra,  an edgeedge with one O(2)LiNbCr2 tetrahedra, and edges with two equivalent O(6)LiNbVCr tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one V(1), and two equivalent Cr(1) atoms to form OLiVCr2 tetrahedra that share corners with two equivalent O(2)LiNbCr2 tetrahedra, corners with four equivalent O(6)LiNbVCr tetrahedra, and corners with three equivalent O(3)LiVCr2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(2), and one Cr(2) atom to form OLiV2Cr tetrahedra that share corners with four equivalent O(9)LiNbVCr tetrahedra and corners with three equivalent O(10)LiV2Cr trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Nb(1), one V(1), and one Cr(1) atom to form distorted OLiNbVCr tetrahedra that share  a cornercorner with one O(2)LiNbCr2 tetrahedra,  a cornercorner with one O(6)LiNbVCr tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra,  a cornercorner with one O(10)LiV2Cr trigonal pyramid,  an edgeedge with one O(2)LiNbCr2 tetrahedra,  an edgeedge with one O(6)LiNbVCr tetrahedra, and  an edgeedge with one O(3)LiVCr2 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 Cr(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 Cr(2) atom to form distorted OLiNbVCr tetrahedra that share  a cornercorner with one O(9)LiNbVCr tetrahedra, corners with two equivalent O(5)LiV2Cr tetrahedra,  a cornercorner with one O(3)LiVCr2 trigonal pyramid,  an edgeedge with one O(9)LiNbVCr tetrahedra, and  an edgeedge with one O(10)LiV2Cr trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), two equivalent V(2), and one Cr(2) atom to form distorted OLiV2Cr trigonal pyramids that share  a cornercorner with one O(2)LiNbCr2 tetrahedra, corners with two equivalent O(6)LiNbVCr tetrahedra, corners with three equivalent O(5)LiV2Cr tetrahedra, and edges with two equivalent O(9)LiNbVCr tetrahedra. 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 Cr(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_Li4Nb2V3Cr3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.020
_cell_length_b   6.020
_cell_length_c   9.684
_cell_angle_alpha   89.550
_cell_angle_beta   89.550
_cell_angle_gamma   59.822
_symmetry_Int_Tables_number   1
_cell_volume   303.416
_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  0.667  0.667  0.099  1.0
  Li  Li1  1  0.001  0.001  0.008  1.0
  Li  Li2  1  0.001  0.001  0.508  1.0
  Li  Li3  1  0.332  0.332  0.602  1.0
  Nb  Nb4  1  0.666  0.666  0.507  1.0
  Nb  Nb5  1  0.331  0.331  0.005  1.0
  V  V6  1  0.829  0.829  0.782  1.0
  V  V7  1  0.172  0.657  0.284  1.0
  V  V8  1  0.657  0.172  0.284  1.0
  Cr  Cr9  1  0.341  0.829  0.785  1.0
  Cr  Cr10  1  0.829  0.341  0.785  1.0
  Cr  Cr11  1  0.169  0.169  0.285  1.0
  O  O12  1  0.336  0.832  0.407  1.0
  O  O13  1  0.520  0.520  0.661  1.0
  O  O14  1  0.667  0.667  0.891  1.0
  O  O15  1  0.999  0.999  0.695  1.0
  O  O16  1  1.000  1.000  0.195  1.0
  O  O17  1  0.832  0.336  0.407  1.0
  O  O18  1  0.516  0.959  0.656  1.0
  O  O19  1  0.959  0.516  0.656  1.0
  O  O20  1  0.166  0.166  0.905  1.0
  O  O21  1  0.832  0.832  0.409  1.0
  O  O22  1  0.040  0.477  0.157  1.0
  O  O23  1  0.477  0.040  0.157  1.0
  O  O24  1  0.333  0.333  0.392  1.0
  O  O25  1  0.170  0.664  0.907  1.0
  O  O26  1  0.480  0.480  0.155  1.0
  O  O27  1  0.664  0.170  0.907  1.0
[/CIF]
.