The compound described by Li2FeV3O8 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are three 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(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Fe(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are eight inequivalent O sites. In the first O site, O(8) 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 second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(3), and one Fe(1) atom. In the third O site, O(2) 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(6)LiV2Fe tetrahedra,  a cornercorner with one O(7)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(6)LiV2Fe tetrahedra, and  an edgeedge with one O(7)LiV2Fe tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the fifth O site, O(4) is bonded to one Li(2), one V(1), one V(2), and one V(3) atom to form distorted corner-sharing OLiV3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Fe(1) atom. In the seventh O site, O(6) is bonded to one Li(1), one V(1), one V(3), 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(7)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(2)LiV2Fe tetrahedra, and  an edgeedge with one O(7)LiV2Fe tetrahedra. In the eighth O site, O(7) is bonded to one Li(1), one V(2), one V(3), 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(6)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(2)LiV2Fe tetrahedra, and  an edgeedge with one O(6)LiV2Fe tetrahedra. is represented by the CIF file [CIF]
data_Li2V3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.930
_cell_length_b   5.930
_cell_length_c   9.604
_cell_angle_alpha   89.461
_cell_angle_beta   89.461
_cell_angle_gamma   120.286
_symmetry_Int_Tables_number   1
_cell_volume   291.528
_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  0.670  0.106  1.0
  Li  Li1  1  0.003  1.000  0.005  1.0
  Li  Li2  1  1.000  0.003  0.505  1.0
  Li  Li3  1  0.670  0.334  0.606  1.0
  V  V4  1  0.177  0.342  0.783  1.0
  V  V5  1  0.658  0.828  0.790  1.0
  V  V6  1  0.176  0.833  0.784  1.0
  V  V7  1  0.833  0.176  0.284  1.0
  V  V8  1  0.342  0.177  0.283  1.0
  V  V9  1  0.828  0.658  0.290  1.0
  Fe  Fe10  1  0.328  0.668  0.507  1.0
  Fe  Fe11  1  0.668  0.328  0.007  1.0
  O  O12  1  0.164  0.331  0.397  1.0
  O  O13  1  0.472  0.511  0.663  1.0
  O  O14  1  0.311  0.654  0.900  1.0
  O  O15  1  0.010  0.005  0.690  1.0
  O  O16  1  0.005  0.010  0.190  1.0
  O  O17  1  0.675  0.845  0.398  1.0
  O  O18  1  0.040  0.521  0.662  1.0
  O  O19  1  0.471  0.961  0.664  1.0
  O  O20  1  0.845  0.168  0.896  1.0
  O  O21  1  0.168  0.845  0.396  1.0
  O  O22  1  0.521  0.040  0.162  1.0
  O  O23  1  0.961  0.471  0.164  1.0
  O  O24  1  0.654  0.311  0.400  1.0
  O  O25  1  0.331  0.164  0.897  1.0
  O  O26  1  0.511  0.472  0.163  1.0
  O  O27  1  0.845  0.675  0.898  1.0
[/CIF]
.
The compound described by Li2FeV3O8 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are three 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(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Fe(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are eight inequivalent O sites. In the first O site, O(8) 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 second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(3), and one Fe(1) atom. In the third O site, O(2) 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(6)LiV2Fe tetrahedra,  a cornercorner with one O(7)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(6)LiV2Fe tetrahedra, and  an edgeedge with one O(7)LiV2Fe tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the fifth O site, O(4) is bonded to one Li(2), one V(1), one V(2), and one V(3) atom to form distorted corner-sharing OLiV3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Fe(1) atom. In the seventh O site, O(6) is bonded to one Li(1), one V(1), one V(3), 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(7)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(2)LiV2Fe tetrahedra, and  an edgeedge with one O(7)LiV2Fe tetrahedra. In the eighth O site, O(7) is bonded to one Li(1), one V(2), one V(3), 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(6)LiV2Fe tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(2)LiV2Fe tetrahedra, and  an edgeedge with one O(6)LiV2Fe tetrahedra. is represented by the CIF file [CIF]
data_Li2V3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.930
_cell_length_b   5.930
_cell_length_c   9.604
_cell_angle_alpha   89.461
_cell_angle_beta   89.461
_cell_angle_gamma   120.286
_symmetry_Int_Tables_number   1
_cell_volume   291.528
_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  0.670  0.106  1.0
  Li  Li1  1  0.003  1.000  0.005  1.0
  Li  Li2  1  1.000  0.003  0.505  1.0
  Li  Li3  1  0.670  0.334  0.606  1.0
  V  V4  1  0.177  0.342  0.783  1.0
  V  V5  1  0.658  0.828  0.790  1.0
  V  V6  1  0.176  0.833  0.784  1.0
  V  V7  1  0.833  0.176  0.284  1.0
  V  V8  1  0.342  0.177  0.283  1.0
  V  V9  1  0.828  0.658  0.290  1.0
  Fe  Fe10  1  0.328  0.668  0.507  1.0
  Fe  Fe11  1  0.668  0.328  0.007  1.0
  O  O12  1  0.164  0.331  0.397  1.0
  O  O13  1  0.472  0.511  0.663  1.0
  O  O14  1  0.311  0.654  0.900  1.0
  O  O15  1  0.010  0.005  0.690  1.0
  O  O16  1  0.005  0.010  0.190  1.0
  O  O17  1  0.675  0.845  0.398  1.0
  O  O18  1  0.040  0.521  0.662  1.0
  O  O19  1  0.471  0.961  0.664  1.0
  O  O20  1  0.845  0.168  0.896  1.0
  O  O21  1  0.168  0.845  0.396  1.0
  O  O22  1  0.521  0.040  0.162  1.0
  O  O23  1  0.961  0.471  0.164  1.0
  O  O24  1  0.654  0.311  0.400  1.0
  O  O25  1  0.331  0.164  0.897  1.0
  O  O26  1  0.511  0.472  0.163  1.0
  O  O27  1  0.845  0.675  0.898  1.0
[/CIF]
.