The material described by Li2VCr3O8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(16), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(14), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the fourth Li site, Li(4) is bonded to one O(14), one O(15), one O(16), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-20°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second V site, V(2) is bonded to one O(10), one O(14), one O(16), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-19°. In the second Cr site, Cr(2) is bonded to one O(11), one O(15), one O(2), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the third Cr site, Cr(3) is bonded to one O(1), one O(12), one O(15), one O(16), one O(4), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(13), one O(3), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)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,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(13), one O(16), one O(2), one O(5), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)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,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the sixth Cr site, Cr(6) is bonded to one O(13), one O(14), one O(15), one O(2), one O(6), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one 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 Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(3), and one Cr(5) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, and edges with two equivalent O(8)Li2Cr3 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), one Cr(5), and one Cr(6) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(2), and one Cr(4) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(14)Li2V2Cr square pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid, corners with two equivalent O(13)LiCr3 trigonal pyramids,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, and edges with two equivalent O(11)Li2VCr2 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one Cr(4), and one Cr(5) atom. In the sixth O site, O(6) is bonded to one Li(3), one Li(4), one V(1), one Cr(4), and one Cr(6) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid, corners with two equivalent O(15)LiCr3 trigonal pyramids,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, edges with two equivalent O(14)Li2V2Cr square pyramids, and  an edgeedge with one O(13)LiCr3 trigonal pyramid. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(4), one V(1), one V(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), and one Cr(5) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid, and edges with two equivalent O(1)Li2Cr3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one V(2), one Cr(3), and one Cr(6) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(14)Li2V2Cr square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, edges with two equivalent O(16)Li2VCr2 square pyramids, and  an edgeedge with one O(15)LiCr3 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(1), and one Cr(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(1), one Cr(2), and one Cr(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2VCr2 square pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, edges with two equivalent O(3)Li2Cr3 square pyramids, and  an edgeedge with one O(13)LiCr3 trigonal pyramid. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one Cr(1), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded to one Li(3), one Cr(4), one Cr(5), and one Cr(6) atom to form OLiCr3 trigonal pyramids that share  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(6)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with two equivalent O(3)Li2Cr3 square pyramids,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid, and  an edgeedge with one O(6)Li2VCr2 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one V(1), one V(2), and one Cr(6) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, edges with two equivalent O(6)Li2VCr2 square pyramids,  an edgeedge with one O(13)LiCr3 trigonal pyramid, and  an edgeedge with one O(15)LiCr3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(4), one Cr(2), one Cr(3), and one Cr(6) atom to form OLiCr3 trigonal pyramids that share  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with two equivalent O(6)Li2VCr2 square pyramids,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(4), one V(2), one Cr(3), and one Cr(5) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2VCr2 square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid, edges with two equivalent O(9)Li2VCr2 square pyramids, and  an edgeedge with one O(15)LiCr3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.240
_cell_length_b   7.820
_cell_length_c   7.842
_cell_angle_alpha   94.635
_cell_angle_beta   95.134
_cell_angle_gamma   109.272
_symmetry_Int_Tables_number   1
_cell_volume   300.015
_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  0.012  0.006  0.994  1.0
  Li  Li1  1  0.252  0.235  0.748  1.0
  Li  Li2  1  0.510  0.510  0.514  1.0
  Li  Li3  1  0.760  0.761  0.261  1.0
  V  V4  1  0.941  0.424  0.312  1.0
  V  V5  1  0.203  0.682  0.056  1.0
  Cr  Cr6  1  0.793  0.317  0.936  1.0
  Cr  Cr7  1  0.699  0.180  0.564  1.0
  Cr  Cr8  1  0.544  0.064  0.188  1.0
  Cr  Cr9  1  0.048  0.569  0.684  1.0
  Cr  Cr10  1  0.453  0.933  0.809  1.0
  Cr  Cr11  1  0.300  0.816  0.437  1.0
  O  O12  1  0.427  0.144  0.965  1.0
  O  O13  1  0.331  0.030  0.605  1.0
  O  O14  1  0.678  0.395  0.715  1.0
  O  O15  1  0.590  0.291  0.350  1.0
  O  O16  1  0.075  0.775  0.866  1.0
  O  O17  1  0.916  0.635  0.457  1.0
  O  O18  1  0.842  0.537  0.114  1.0
  O  O19  1  0.829  0.107  0.788  1.0
  O  O20  1  0.167  0.887  0.205  1.0
  O  O21  1  0.178  0.483  0.906  1.0
  O  O22  1  0.078  0.362  0.519  1.0
  O  O23  1  0.927  0.231  0.156  1.0
  O  O24  1  0.416  0.718  0.643  1.0
  O  O25  1  0.309  0.597  0.274  1.0
  O  O26  1  0.666  0.969  0.393  1.0
  O  O27  1  0.556  0.840  0.041  1.0
[/CIF]
.
The material described by Li2VCr3O8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(16), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(14), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the fourth Li site, Li(4) is bonded to one O(14), one O(15), one O(16), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-20°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second V site, V(2) is bonded to one O(10), one O(14), one O(16), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-19°. In the second Cr site, Cr(2) is bonded to one O(11), one O(15), one O(2), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the third Cr site, Cr(3) is bonded to one O(1), one O(12), one O(15), one O(16), one O(4), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(13), one O(3), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)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,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(13), one O(16), one O(2), one O(5), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)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,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the sixth Cr site, Cr(6) is bonded to one O(13), one O(14), one O(15), one O(2), one O(6), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one 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 Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(3), and one Cr(5) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, and edges with two equivalent O(8)Li2Cr3 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), one Cr(5), and one Cr(6) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(2), and one Cr(4) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(14)Li2V2Cr square pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid, corners with two equivalent O(13)LiCr3 trigonal pyramids,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, and edges with two equivalent O(11)Li2VCr2 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one Cr(4), and one Cr(5) atom. In the sixth O site, O(6) is bonded to one Li(3), one Li(4), one V(1), one Cr(4), and one Cr(6) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid, corners with two equivalent O(15)LiCr3 trigonal pyramids,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, edges with two equivalent O(14)Li2V2Cr square pyramids, and  an edgeedge with one O(13)LiCr3 trigonal pyramid. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(4), one V(1), one V(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), and one Cr(5) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid, and edges with two equivalent O(1)Li2Cr3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one V(2), one Cr(3), and one Cr(6) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(14)Li2V2Cr square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, edges with two equivalent O(16)Li2VCr2 square pyramids, and  an edgeedge with one O(15)LiCr3 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(1), and one Cr(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(1), one Cr(2), and one Cr(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2VCr2 square pyramid,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, edges with two equivalent O(3)Li2Cr3 square pyramids, and  an edgeedge with one O(13)LiCr3 trigonal pyramid. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one Cr(1), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded to one Li(3), one Cr(4), one Cr(5), and one Cr(6) atom to form OLiCr3 trigonal pyramids that share  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(6)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with two equivalent O(3)Li2Cr3 square pyramids,  a cornercorner with one O(15)LiCr3 trigonal pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid, and  an edgeedge with one O(6)Li2VCr2 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one V(1), one V(2), and one Cr(6) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, edges with two equivalent O(6)Li2VCr2 square pyramids,  an edgeedge with one O(13)LiCr3 trigonal pyramid, and  an edgeedge with one O(15)LiCr3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(4), one Cr(2), one Cr(3), and one Cr(6) atom to form OLiCr3 trigonal pyramids that share  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with two equivalent O(6)Li2VCr2 square pyramids,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(4), one V(2), one Cr(3), and one Cr(5) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2VCr2 square pyramid,  a cornercorner with one O(13)LiCr3 trigonal pyramid,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(14)Li2V2Cr square pyramid, edges with two equivalent O(9)Li2VCr2 square pyramids, and  an edgeedge with one O(15)LiCr3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.240
_cell_length_b   7.820
_cell_length_c   7.842
_cell_angle_alpha   94.635
_cell_angle_beta   95.134
_cell_angle_gamma   109.272
_symmetry_Int_Tables_number   1
_cell_volume   300.015
_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  0.012  0.006  0.994  1.0
  Li  Li1  1  0.252  0.235  0.748  1.0
  Li  Li2  1  0.510  0.510  0.514  1.0
  Li  Li3  1  0.760  0.761  0.261  1.0
  V  V4  1  0.941  0.424  0.312  1.0
  V  V5  1  0.203  0.682  0.056  1.0
  Cr  Cr6  1  0.793  0.317  0.936  1.0
  Cr  Cr7  1  0.699  0.180  0.564  1.0
  Cr  Cr8  1  0.544  0.064  0.188  1.0
  Cr  Cr9  1  0.048  0.569  0.684  1.0
  Cr  Cr10  1  0.453  0.933  0.809  1.0
  Cr  Cr11  1  0.300  0.816  0.437  1.0
  O  O12  1  0.427  0.144  0.965  1.0
  O  O13  1  0.331  0.030  0.605  1.0
  O  O14  1  0.678  0.395  0.715  1.0
  O  O15  1  0.590  0.291  0.350  1.0
  O  O16  1  0.075  0.775  0.866  1.0
  O  O17  1  0.916  0.635  0.457  1.0
  O  O18  1  0.842  0.537  0.114  1.0
  O  O19  1  0.829  0.107  0.788  1.0
  O  O20  1  0.167  0.887  0.205  1.0
  O  O21  1  0.178  0.483  0.906  1.0
  O  O22  1  0.078  0.362  0.519  1.0
  O  O23  1  0.927  0.231  0.156  1.0
  O  O24  1  0.416  0.718  0.643  1.0
  O  O25  1  0.309  0.597  0.274  1.0
  O  O26  1  0.666  0.969  0.393  1.0
  O  O27  1  0.556  0.840  0.041  1.0
[/CIF]
.