The structure described by Li2VCrO4 is alpha Po-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. 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(6), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Cr site, Cr(2) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share corners with two equivalent O(3)Li3V2Cr octahedra, corners with two equivalent O(5)Li3V2Cr octahedra, corners with two equivalent O(1)Li3VCr2 octahedra, edges with two equivalent O(3)Li3V2Cr octahedra, edges with two equivalent O(5)Li3V2Cr octahedra, edges with two equivalent O(6)Li3V2Cr octahedra, edges with three equivalent O(2)Li3VCr2 octahedra, and edges with three equivalent O(4)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and two equivalent Cr(2) atoms to form OLi3VCr2 octahedra that share corners with two equivalent O(6)Li3V2Cr octahedra, corners with two equivalent O(2)Li3VCr2 octahedra, corners with two equivalent O(4)Li3VCr2 octahedra,  an edgeedge with one O(3)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(6)Li3V2Cr octahedra, edges with three equivalent O(1)Li3VCr2 octahedra, and edges with four equivalent O(5)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(4), one V(1), one V(2), and one Cr(1) atom to form OLi3V2Cr octahedra that share corners with two equivalent O(3)Li3V2Cr octahedra, corners with two equivalent O(5)Li3V2Cr octahedra, corners with two equivalent O(1)Li3VCr2 octahedra,  an edgeedge with one O(3)Li3V2Cr octahedra,  an edgeedge with one O(5)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with three equivalent O(6)Li3V2Cr octahedra, and edges with four equivalent O(4)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(2), one V(2), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share corners with two equivalent O(6)Li3V2Cr octahedra, corners with two equivalent O(2)Li3VCr2 octahedra, corners with two equivalent O(4)Li3VCr2 octahedra,  an edgeedge with one O(5)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(6)Li3V2Cr octahedra, edges with three equivalent O(1)Li3VCr2 octahedra, and edges with four equivalent O(3)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), two equivalent V(1), and one Cr(2) atom to form OLi3V2Cr octahedra that share corners with two equivalent O(3)Li3V2Cr octahedra, corners with two equivalent O(5)Li3V2Cr octahedra, corners with two equivalent O(1)Li3VCr2 octahedra,  an edgeedge with one O(3)Li3V2Cr octahedra,  an edgeedge with one O(5)Li3V2Cr octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with three equivalent O(6)Li3V2Cr octahedra, and edges with four equivalent O(2)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one V(1), one V(2), and one Cr(2) atom to form OLi3V2Cr octahedra that share corners with two equivalent O(6)Li3V2Cr octahedra, corners with two equivalent O(2)Li3VCr2 octahedra, corners with two equivalent O(4)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with two equivalent O(2)Li3VCr2 octahedra, edges with two equivalent O(4)Li3VCr2 octahedra, edges with three equivalent O(3)Li3V2Cr octahedra, and edges with three equivalent O(5)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_Li2VCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.998
_cell_length_c   7.875
_cell_angle_alpha   79.177
_cell_angle_beta   77.105
_cell_angle_gamma   73.287
_symmetry_Int_Tables_number   1
_cell_volume   225.936
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.003  0.162  0.336  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.003  0.327  0.667  1.0
  Li  Li4  1  0.997  0.673  0.333  1.0
  Li  Li5  1  0.997  0.838  0.664  1.0
  V  V6  1  0.500  0.336  0.167  1.0
  V  V7  1  0.500  0.500  0.500  1.0
  V  V8  1  0.500  0.664  0.833  1.0
  Cr  Cr9  1  0.500  0.000  0.500  1.0
  Cr  Cr10  1  0.501  0.163  0.833  1.0
  Cr  Cr11  1  0.499  0.837  0.167  1.0
  O  O12  1  0.724  0.009  0.252  1.0
  O  O13  1  0.274  0.161  0.080  1.0
  O  O14  1  0.274  0.327  0.416  1.0
  O  O15  1  0.727  0.165  0.587  1.0
  O  O16  1  0.273  0.664  0.082  1.0
  O  O17  1  0.727  0.513  0.252  1.0
  O  O18  1  0.273  0.487  0.748  1.0
  O  O19  1  0.727  0.336  0.918  1.0
  O  O20  1  0.273  0.835  0.413  1.0
  O  O21  1  0.726  0.673  0.584  1.0
  O  O22  1  0.726  0.839  0.920  1.0
  O  O23  1  0.276  0.991  0.748  1.0
[/CIF]
.
The structure described by Li2VCrO4 is alpha Po-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. 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(6), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Cr site, Cr(2) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share corners with two equivalent O(3)Li3V2Cr octahedra, corners with two equivalent O(5)Li3V2Cr octahedra, corners with two equivalent O(1)Li3VCr2 octahedra, edges with two equivalent O(3)Li3V2Cr octahedra, edges with two equivalent O(5)Li3V2Cr octahedra, edges with two equivalent O(6)Li3V2Cr octahedra, edges with three equivalent O(2)Li3VCr2 octahedra, and edges with three equivalent O(4)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and two equivalent Cr(2) atoms to form OLi3VCr2 octahedra that share corners with two equivalent O(6)Li3V2Cr octahedra, corners with two equivalent O(2)Li3VCr2 octahedra, corners with two equivalent O(4)Li3VCr2 octahedra,  an edgeedge with one O(3)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(6)Li3V2Cr octahedra, edges with three equivalent O(1)Li3VCr2 octahedra, and edges with four equivalent O(5)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(4), one V(1), one V(2), and one Cr(1) atom to form OLi3V2Cr octahedra that share corners with two equivalent O(3)Li3V2Cr octahedra, corners with two equivalent O(5)Li3V2Cr octahedra, corners with two equivalent O(1)Li3VCr2 octahedra,  an edgeedge with one O(3)Li3V2Cr octahedra,  an edgeedge with one O(5)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with three equivalent O(6)Li3V2Cr octahedra, and edges with four equivalent O(4)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(2), one V(2), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share corners with two equivalent O(6)Li3V2Cr octahedra, corners with two equivalent O(2)Li3VCr2 octahedra, corners with two equivalent O(4)Li3VCr2 octahedra,  an edgeedge with one O(5)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(6)Li3V2Cr octahedra, edges with three equivalent O(1)Li3VCr2 octahedra, and edges with four equivalent O(3)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), two equivalent V(1), and one Cr(2) atom to form OLi3V2Cr octahedra that share corners with two equivalent O(3)Li3V2Cr octahedra, corners with two equivalent O(5)Li3V2Cr octahedra, corners with two equivalent O(1)Li3VCr2 octahedra,  an edgeedge with one O(3)Li3V2Cr octahedra,  an edgeedge with one O(5)Li3V2Cr octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with three equivalent O(6)Li3V2Cr octahedra, and edges with four equivalent O(2)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one V(1), one V(2), and one Cr(2) atom to form OLi3V2Cr octahedra that share corners with two equivalent O(6)Li3V2Cr octahedra, corners with two equivalent O(2)Li3VCr2 octahedra, corners with two equivalent O(4)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with two equivalent O(2)Li3VCr2 octahedra, edges with two equivalent O(4)Li3VCr2 octahedra, edges with three equivalent O(3)Li3V2Cr octahedra, and edges with three equivalent O(5)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_Li2VCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.998
_cell_length_c   7.875
_cell_angle_alpha   79.177
_cell_angle_beta   77.105
_cell_angle_gamma   73.287
_symmetry_Int_Tables_number   1
_cell_volume   225.936
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.003  0.162  0.336  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.003  0.327  0.667  1.0
  Li  Li4  1  0.997  0.673  0.333  1.0
  Li  Li5  1  0.997  0.838  0.664  1.0
  V  V6  1  0.500  0.336  0.167  1.0
  V  V7  1  0.500  0.500  0.500  1.0
  V  V8  1  0.500  0.664  0.833  1.0
  Cr  Cr9  1  0.500  0.000  0.500  1.0
  Cr  Cr10  1  0.501  0.163  0.833  1.0
  Cr  Cr11  1  0.499  0.837  0.167  1.0
  O  O12  1  0.724  0.009  0.252  1.0
  O  O13  1  0.274  0.161  0.080  1.0
  O  O14  1  0.274  0.327  0.416  1.0
  O  O15  1  0.727  0.165  0.587  1.0
  O  O16  1  0.273  0.664  0.082  1.0
  O  O17  1  0.727  0.513  0.252  1.0
  O  O18  1  0.273  0.487  0.748  1.0
  O  O19  1  0.727  0.336  0.918  1.0
  O  O20  1  0.273  0.835  0.413  1.0
  O  O21  1  0.726  0.673  0.584  1.0
  O  O22  1  0.726  0.839  0.920  1.0
  O  O23  1  0.276  0.991  0.748  1.0
[/CIF]
.