The material described by Li2FeV3O8 is Spinel-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. Fe(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent V(1), and one Fe(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Fe(1) atom. In the third O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Fe(1) atom to form distorted OLiV2Fe tetrahedra that share corners with two equivalent O(5)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra, and edges with two equivalent O(5)LiV2Fe tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the fifth O site, O(4) is bonded to one Li(2), one V(2), and two equivalent V(1) atoms to form distorted corner-sharing OLiV3 tetrahedra. In the sixth O site, O(5) is bonded to one Li(1), one V(1), one V(2), and one Fe(1) atom to form distorted OLiV2Fe tetrahedra that share  a cornercorner with one O(2)LiV2Fe tetrahedra,  a cornercorner with one O(5)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(2)LiV2Fe tetrahedra, and  an edgeedge with one O(5)LiV2Fe tetrahedra. is represented by the CIF file [CIF]
data_Li2V3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.905
_cell_length_b   5.905
_cell_length_c   9.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.335
_symmetry_Int_Tables_number   1
_cell_volume   292.135
_cell_formula_units_Z   2
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  0.334  0.666  0.894  1.0
  Li  Li1  1  0.997  0.003  0.995  1.0
  Li  Li2  1  0.003  0.997  0.495  1.0
  Li  Li3  1  0.666  0.334  0.394  1.0
  V  V4  1  0.165  0.341  0.216  1.0
  V  V5  1  0.659  0.835  0.216  1.0
  V  V6  1  0.171  0.829  0.210  1.0
  V  V7  1  0.829  0.171  0.710  1.0
  V  V8  1  0.341  0.165  0.716  1.0
  V  V9  1  0.835  0.659  0.716  1.0
  Fe  Fe10  1  0.339  0.661  0.492  1.0
  Fe  Fe11  1  0.661  0.339  0.992  1.0
  O  O12  1  0.170  0.323  0.604  1.0
  O  O13  1  0.481  0.519  0.337  1.0
  O  O14  1  0.343  0.657  0.100  1.0
  O  O15  1  0.996  0.004  0.310  1.0
  O  O16  1  0.004  0.996  0.810  1.0
  O  O17  1  0.677  0.830  0.604  1.0
  O  O18  1  0.039  0.509  0.337  1.0
  O  O19  1  0.491  0.961  0.337  1.0
  O  O20  1  0.833  0.167  0.103  1.0
  O  O21  1  0.167  0.833  0.603  1.0
  O  O22  1  0.509  0.039  0.837  1.0
  O  O23  1  0.961  0.491  0.837  1.0
  O  O24  1  0.657  0.343  0.600  1.0
  O  O25  1  0.323  0.170  0.104  1.0
  O  O26  1  0.519  0.481  0.837  1.0
  O  O27  1  0.830  0.677  0.104  1.0
[/CIF]
.
The material described by Li2FeV3O8 is Spinel-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. Fe(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent V(1), and one Fe(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Fe(1) atom. In the third O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Fe(1) atom to form distorted OLiV2Fe tetrahedra that share corners with two equivalent O(5)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra, and edges with two equivalent O(5)LiV2Fe tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the fifth O site, O(4) is bonded to one Li(2), one V(2), and two equivalent V(1) atoms to form distorted corner-sharing OLiV3 tetrahedra. In the sixth O site, O(5) is bonded to one Li(1), one V(1), one V(2), and one Fe(1) atom to form distorted OLiV2Fe tetrahedra that share  a cornercorner with one O(2)LiV2Fe tetrahedra,  a cornercorner with one O(5)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(2)LiV2Fe tetrahedra, and  an edgeedge with one O(5)LiV2Fe tetrahedra. is represented by the CIF file [CIF]
data_Li2V3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.905
_cell_length_b   5.905
_cell_length_c   9.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.335
_symmetry_Int_Tables_number   1
_cell_volume   292.135
_cell_formula_units_Z   2
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  0.334  0.666  0.894  1.0
  Li  Li1  1  0.997  0.003  0.995  1.0
  Li  Li2  1  0.003  0.997  0.495  1.0
  Li  Li3  1  0.666  0.334  0.394  1.0
  V  V4  1  0.165  0.341  0.216  1.0
  V  V5  1  0.659  0.835  0.216  1.0
  V  V6  1  0.171  0.829  0.210  1.0
  V  V7  1  0.829  0.171  0.710  1.0
  V  V8  1  0.341  0.165  0.716  1.0
  V  V9  1  0.835  0.659  0.716  1.0
  Fe  Fe10  1  0.339  0.661  0.492  1.0
  Fe  Fe11  1  0.661  0.339  0.992  1.0
  O  O12  1  0.170  0.323  0.604  1.0
  O  O13  1  0.481  0.519  0.337  1.0
  O  O14  1  0.343  0.657  0.100  1.0
  O  O15  1  0.996  0.004  0.310  1.0
  O  O16  1  0.004  0.996  0.810  1.0
  O  O17  1  0.677  0.830  0.604  1.0
  O  O18  1  0.039  0.509  0.337  1.0
  O  O19  1  0.491  0.961  0.337  1.0
  O  O20  1  0.833  0.167  0.103  1.0
  O  O21  1  0.167  0.833  0.603  1.0
  O  O22  1  0.509  0.039  0.837  1.0
  O  O23  1  0.961  0.491  0.837  1.0
  O  O24  1  0.657  0.343  0.600  1.0
  O  O25  1  0.323  0.170  0.104  1.0
  O  O26  1  0.519  0.481  0.837  1.0
  O  O27  1  0.830  0.677  0.104  1.0
[/CIF]
.