The crystal structure described by Li2V3CrO8 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. In the second Li site, Li(2) 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 V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the third Li site, Li(3) is bonded to two equivalent O(1), 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 V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-21°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(8), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the second V site, V(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-21°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. Cr(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)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(3)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one V(3), and two equivalent Cr(1) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(1)Li2VCr2 square pyramids,  a cornercorner with one O(6)LiV2Cr trigonal pyramid, corners with two equivalent O(8)LiV2Cr trigonal pyramids,  an edgeedge with one O(1)Li2VCr2 square pyramid, edges with four equivalent O(5)Li2V2Cr square pyramids, and edges with two equivalent O(6)LiV2Cr trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(3), and one Cr(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), and two equivalent V(2) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(7)Li2V3 square pyramids, corners with two equivalent O(6)LiV2Cr trigonal pyramids, corners with three equivalent O(8)LiV2Cr trigonal pyramids, edges with two equivalent O(3)Li2V3 square pyramids, edges with three equivalent O(7)Li2V3 square pyramids, and  an edgeedge with one O(8)LiV2Cr trigonal pyramid. In the fourth O site, O(4) 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(5) is bonded to one Li(2), one Li(3), two equivalent V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share corners with two equivalent O(5)Li2V2Cr square pyramids,  a cornercorner with one O(8)LiV2Cr trigonal pyramid, corners with three equivalent O(6)LiV2Cr trigonal pyramids,  an edgeedge with one O(5)Li2V2Cr square pyramid, edges with four equivalent O(1)Li2VCr2 square pyramids, and  an edgeedge with one O(6)LiV2Cr trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(3), one V(2), one V(3), and one Cr(1) atom to form OLiV2Cr trigonal pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(1)Li2VCr2 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with three equivalent O(5)Li2V2Cr square pyramids,  a cornercorner with one O(6)LiV2Cr trigonal pyramid,  an edgeedge with one O(5)Li2V2Cr square pyramid, edges with two equivalent O(1)Li2VCr2 square pyramids, and  an edgeedge with one O(8)LiV2Cr trigonal pyramid. In the seventh O site, O(7) is bonded to two equivalent Li(1), one V(2), and two equivalent V(1) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(3)Li2V3 square pyramids,  a cornercorner with one O(6)LiV2Cr trigonal pyramid,  a cornercorner with one O(8)LiV2Cr trigonal pyramid, edges with two equivalent O(7)Li2V3 square pyramids, edges with three equivalent O(3)Li2V3 square pyramids, and edges with two equivalent O(8)LiV2Cr trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(1), one V(1), one V(2), and one Cr(1) atom to form OLiV2Cr trigonal pyramids that share  a cornercorner with one O(5)Li2V2Cr square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid, corners with two equivalent O(1)Li2VCr2 square pyramids, corners with three equivalent O(3)Li2V3 square pyramids,  an edgeedge with one O(3)Li2V3 square pyramid, edges with two equivalent O(7)Li2V3 square pyramids, and  an edgeedge with one O(6)LiV2Cr trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.268
_cell_length_b   5.907
_cell_length_c   10.688
_cell_angle_alpha   98.750
_cell_angle_beta   102.221
_cell_angle_gamma   107.197
_symmetry_Int_Tables_number   1
_cell_volume   302.198
_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  0.996  0.248  0.001  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.004  0.752  0.999  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.392  0.066  0.872  1.0
  V  V5  1  0.600  0.432  0.129  1.0
  V  V6  1  0.897  0.820  0.369  1.0
  V  V7  1  0.103  0.180  0.631  1.0
  V  V8  1  0.400  0.568  0.871  1.0
  V  V9  1  0.608  0.934  0.128  1.0
  Cr  Cr10  1  0.891  0.317  0.374  1.0
  Cr  Cr11  1  0.109  0.683  0.626  1.0
  O  O12  1  0.165  0.658  0.445  1.0
  O  O13  1  0.383  0.025  0.685  1.0
  O  O14  1  0.664  0.391  0.944  1.0
  O  O15  1  0.884  0.774  0.182  1.0
  O  O16  1  0.159  0.140  0.442  1.0
  O  O17  1  0.371  0.501  0.675  1.0
  O  O18  1  0.671  0.911  0.946  1.0
  O  O19  1  0.871  0.255  0.179  1.0
  O  O20  1  0.629  0.499  0.325  1.0
  O  O21  1  0.841  0.860  0.558  1.0
  O  O22  1  0.116  0.226  0.818  1.0
  O  O23  1  0.336  0.609  0.056  1.0
  O  O24  1  0.617  0.975  0.315  1.0
  O  O25  1  0.835  0.342  0.555  1.0
  O  O26  1  0.129  0.745  0.821  1.0
  O  O27  1  0.329  0.089  0.054  1.0
[/CIF]
.
The crystal structure described by Li2V3CrO8 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. In the second Li site, Li(2) 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 V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the third Li site, Li(3) is bonded to two equivalent O(1), 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 V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-21°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(8), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the second V site, V(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-21°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. Cr(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)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(3)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one V(3), and two equivalent Cr(1) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(1)Li2VCr2 square pyramids,  a cornercorner with one O(6)LiV2Cr trigonal pyramid, corners with two equivalent O(8)LiV2Cr trigonal pyramids,  an edgeedge with one O(1)Li2VCr2 square pyramid, edges with four equivalent O(5)Li2V2Cr square pyramids, and edges with two equivalent O(6)LiV2Cr trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(3), and one Cr(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), and two equivalent V(2) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(7)Li2V3 square pyramids, corners with two equivalent O(6)LiV2Cr trigonal pyramids, corners with three equivalent O(8)LiV2Cr trigonal pyramids, edges with two equivalent O(3)Li2V3 square pyramids, edges with three equivalent O(7)Li2V3 square pyramids, and  an edgeedge with one O(8)LiV2Cr trigonal pyramid. In the fourth O site, O(4) 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(5) is bonded to one Li(2), one Li(3), two equivalent V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share corners with two equivalent O(5)Li2V2Cr square pyramids,  a cornercorner with one O(8)LiV2Cr trigonal pyramid, corners with three equivalent O(6)LiV2Cr trigonal pyramids,  an edgeedge with one O(5)Li2V2Cr square pyramid, edges with four equivalent O(1)Li2VCr2 square pyramids, and  an edgeedge with one O(6)LiV2Cr trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(3), one V(2), one V(3), and one Cr(1) atom to form OLiV2Cr trigonal pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(1)Li2VCr2 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with three equivalent O(5)Li2V2Cr square pyramids,  a cornercorner with one O(6)LiV2Cr trigonal pyramid,  an edgeedge with one O(5)Li2V2Cr square pyramid, edges with two equivalent O(1)Li2VCr2 square pyramids, and  an edgeedge with one O(8)LiV2Cr trigonal pyramid. In the seventh O site, O(7) is bonded to two equivalent Li(1), one V(2), and two equivalent V(1) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(3)Li2V3 square pyramids,  a cornercorner with one O(6)LiV2Cr trigonal pyramid,  a cornercorner with one O(8)LiV2Cr trigonal pyramid, edges with two equivalent O(7)Li2V3 square pyramids, edges with three equivalent O(3)Li2V3 square pyramids, and edges with two equivalent O(8)LiV2Cr trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(1), one V(1), one V(2), and one Cr(1) atom to form OLiV2Cr trigonal pyramids that share  a cornercorner with one O(5)Li2V2Cr square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid, corners with two equivalent O(1)Li2VCr2 square pyramids, corners with three equivalent O(3)Li2V3 square pyramids,  an edgeedge with one O(3)Li2V3 square pyramid, edges with two equivalent O(7)Li2V3 square pyramids, and  an edgeedge with one O(6)LiV2Cr trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.268
_cell_length_b   5.907
_cell_length_c   10.688
_cell_angle_alpha   98.750
_cell_angle_beta   102.221
_cell_angle_gamma   107.197
_symmetry_Int_Tables_number   1
_cell_volume   302.198
_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  0.996  0.248  0.001  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.004  0.752  0.999  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.392  0.066  0.872  1.0
  V  V5  1  0.600  0.432  0.129  1.0
  V  V6  1  0.897  0.820  0.369  1.0
  V  V7  1  0.103  0.180  0.631  1.0
  V  V8  1  0.400  0.568  0.871  1.0
  V  V9  1  0.608  0.934  0.128  1.0
  Cr  Cr10  1  0.891  0.317  0.374  1.0
  Cr  Cr11  1  0.109  0.683  0.626  1.0
  O  O12  1  0.165  0.658  0.445  1.0
  O  O13  1  0.383  0.025  0.685  1.0
  O  O14  1  0.664  0.391  0.944  1.0
  O  O15  1  0.884  0.774  0.182  1.0
  O  O16  1  0.159  0.140  0.442  1.0
  O  O17  1  0.371  0.501  0.675  1.0
  O  O18  1  0.671  0.911  0.946  1.0
  O  O19  1  0.871  0.255  0.179  1.0
  O  O20  1  0.629  0.499  0.325  1.0
  O  O21  1  0.841  0.860  0.558  1.0
  O  O22  1  0.116  0.226  0.818  1.0
  O  O23  1  0.336  0.609  0.056  1.0
  O  O24  1  0.617  0.975  0.315  1.0
  O  O25  1  0.835  0.342  0.555  1.0
  O  O26  1  0.129  0.745  0.821  1.0
  O  O27  1  0.329  0.089  0.054  1.0
[/CIF]
.