The crystal structure described by Li2V3CrO8 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(8), and two equivalent O(5) atoms to form LiO5 square pyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the second Li site, Li(2) is bonded to one O(1), one O(7), one O(8), and two equivalent O(4) atoms to form LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-11°. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-23°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 17-23°. Cr(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-16°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(3), and two equivalent V(2) atoms to form OLi2V3 square pyramids that share  a cornercorner with one O(7)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V3 square pyramids,  a cornercorner with one O(4)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV2Cr2 square pyramid, edges with two equivalent O(7)LiV3Cr square pyramids, edges with two equivalent O(5)Li2V2Cr trigonal bipyramids, and edges with two equivalent O(4)Li2V3 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(3), and two equivalent Cr(1) atoms to form OLiV2Cr2 square pyramids that share  a cornercorner with one O(8)Li2V2Cr square pyramid, corners with two equivalent O(2)LiV2Cr2 square pyramids,  a cornercorner with one O(5)Li2V2Cr trigonal bipyramid,  an edgeedge with one O(1)Li2V3 square pyramid, edges with two equivalent O(8)Li2V2Cr square pyramids, edges with two equivalent O(7)LiV3Cr square pyramids,  an edgeedge with one O(4)Li2V3 trigonal bipyramid, and edges with two equivalent O(5)Li2V2Cr trigonal bipyramids. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one V(1), one V(2), and one V(3) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)LiV3Cr square pyramid, corners with two equivalent O(4)Li2V3 trigonal bipyramids,  an edgeedge with one O(2)LiV2Cr2 square pyramid, edges with two equivalent O(8)Li2V2Cr square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(7)LiV3Cr square pyramids, and  an edgeedge with one O(5)Li2V2Cr trigonal bipyramid. In the fifth O site, O(5) is bonded to two equivalent Li(1), one V(1), one V(2), and one Cr(1) atom to form OLi2V2Cr trigonal bipyramids that share  a cornercorner with one O(8)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV2Cr2 square pyramid, corners with two equivalent O(5)Li2V2Cr trigonal bipyramids,  an edgeedge with one O(7)LiV3Cr square pyramid, edges with two equivalent O(8)Li2V2Cr square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(2)LiV2Cr2 square pyramids, and  an edgeedge with one O(4)Li2V3 trigonal bipyramid. In the sixth O site, O(6) is bonded in a linear geometry to one V(2) and one Cr(1) atom. In the seventh O site, O(7) is bonded to one Li(2), one V(2), two equivalent V(3), and one Cr(1) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid, corners with two equivalent O(7)LiV3Cr square pyramids,  a cornercorner with one O(4)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2V2Cr square pyramid, edges with two equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(2)LiV2Cr2 square pyramids,  an edgeedge with one O(5)Li2V2Cr trigonal bipyramid, and edges with two equivalent O(4)Li2V3 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), two equivalent V(1), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(2)LiV2Cr2 square pyramid, corners with two equivalent O(8)Li2V2Cr square pyramids,  a cornercorner with one O(5)Li2V2Cr trigonal bipyramid,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)LiV3Cr square pyramid, edges with two equivalent O(2)LiV2Cr2 square pyramids, edges with two equivalent O(5)Li2V2Cr trigonal bipyramids, and edges with two equivalent O(4)Li2V3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2V3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.428
_cell_length_b   6.428
_cell_length_c   6.494
_cell_angle_alpha   73.628
_cell_angle_beta   73.628
_cell_angle_gamma   36.550
_symmetry_Int_Tables_number   1
_cell_volume   152.621
_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  0.942  0.942  0.351  1.0
  Li  Li1  1  0.056  0.056  0.647  1.0
  V  V2  1  0.611  0.611  0.280  1.0
  V  V3  1  0.391  0.391  0.719  1.0
  V  V4  1  0.711  0.711  0.690  1.0
  Cr  Cr5  1  0.288  0.288  0.310  1.0
  O  O6  1  0.881  0.881  0.679  1.0
  O  O7  1  0.767  0.767  0.346  1.0
  O  O8  1  0.649  0.649  0.007  1.0
  O  O9  1  0.559  0.559  0.640  1.0
  O  O10  1  0.441  0.441  0.366  1.0
  O  O11  1  0.350  0.350  0.994  1.0
  O  O12  1  0.232  0.232  0.650  1.0
  O  O13  1  0.121  0.121  0.322  1.0
[/CIF]
.
The crystal structure described by Li2V3CrO8 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(8), and two equivalent O(5) atoms to form LiO5 square pyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the second Li site, Li(2) is bonded to one O(1), one O(7), one O(8), and two equivalent O(4) atoms to form LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-11°. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-23°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 17-23°. Cr(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-16°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(3), and two equivalent V(2) atoms to form OLi2V3 square pyramids that share  a cornercorner with one O(7)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V3 square pyramids,  a cornercorner with one O(4)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV2Cr2 square pyramid, edges with two equivalent O(7)LiV3Cr square pyramids, edges with two equivalent O(5)Li2V2Cr trigonal bipyramids, and edges with two equivalent O(4)Li2V3 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(3), and two equivalent Cr(1) atoms to form OLiV2Cr2 square pyramids that share  a cornercorner with one O(8)Li2V2Cr square pyramid, corners with two equivalent O(2)LiV2Cr2 square pyramids,  a cornercorner with one O(5)Li2V2Cr trigonal bipyramid,  an edgeedge with one O(1)Li2V3 square pyramid, edges with two equivalent O(8)Li2V2Cr square pyramids, edges with two equivalent O(7)LiV3Cr square pyramids,  an edgeedge with one O(4)Li2V3 trigonal bipyramid, and edges with two equivalent O(5)Li2V2Cr trigonal bipyramids. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one V(1), one V(2), and one V(3) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)LiV3Cr square pyramid, corners with two equivalent O(4)Li2V3 trigonal bipyramids,  an edgeedge with one O(2)LiV2Cr2 square pyramid, edges with two equivalent O(8)Li2V2Cr square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(7)LiV3Cr square pyramids, and  an edgeedge with one O(5)Li2V2Cr trigonal bipyramid. In the fifth O site, O(5) is bonded to two equivalent Li(1), one V(1), one V(2), and one Cr(1) atom to form OLi2V2Cr trigonal bipyramids that share  a cornercorner with one O(8)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV2Cr2 square pyramid, corners with two equivalent O(5)Li2V2Cr trigonal bipyramids,  an edgeedge with one O(7)LiV3Cr square pyramid, edges with two equivalent O(8)Li2V2Cr square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(2)LiV2Cr2 square pyramids, and  an edgeedge with one O(4)Li2V3 trigonal bipyramid. In the sixth O site, O(6) is bonded in a linear geometry to one V(2) and one Cr(1) atom. In the seventh O site, O(7) is bonded to one Li(2), one V(2), two equivalent V(3), and one Cr(1) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid, corners with two equivalent O(7)LiV3Cr square pyramids,  a cornercorner with one O(4)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2V2Cr square pyramid, edges with two equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(2)LiV2Cr2 square pyramids,  an edgeedge with one O(5)Li2V2Cr trigonal bipyramid, and edges with two equivalent O(4)Li2V3 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), two equivalent V(1), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(2)LiV2Cr2 square pyramid, corners with two equivalent O(8)Li2V2Cr square pyramids,  a cornercorner with one O(5)Li2V2Cr trigonal bipyramid,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)LiV3Cr square pyramid, edges with two equivalent O(2)LiV2Cr2 square pyramids, edges with two equivalent O(5)Li2V2Cr trigonal bipyramids, and edges with two equivalent O(4)Li2V3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2V3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.428
_cell_length_b   6.428
_cell_length_c   6.494
_cell_angle_alpha   73.628
_cell_angle_beta   73.628
_cell_angle_gamma   36.550
_symmetry_Int_Tables_number   1
_cell_volume   152.621
_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  0.942  0.942  0.351  1.0
  Li  Li1  1  0.056  0.056  0.647  1.0
  V  V2  1  0.611  0.611  0.280  1.0
  V  V3  1  0.391  0.391  0.719  1.0
  V  V4  1  0.711  0.711  0.690  1.0
  Cr  Cr5  1  0.288  0.288  0.310  1.0
  O  O6  1  0.881  0.881  0.679  1.0
  O  O7  1  0.767  0.767  0.346  1.0
  O  O8  1  0.649  0.649  0.007  1.0
  O  O9  1  0.559  0.559  0.640  1.0
  O  O10  1  0.441  0.441  0.366  1.0
  O  O11  1  0.350  0.350  0.994  1.0
  O  O12  1  0.232  0.232  0.650  1.0
  O  O13  1  0.121  0.121  0.322  1.0
[/CIF]
.