The compound described by Li3VCr3O8 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(7), two equivalent O(10), and two equivalent O(6) atoms to form VO6 octahedra that share  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. In the second V site, V(2) is bonded to one O(12), one O(8), two equivalent O(5), and two equivalent O(9) atoms to form VO6 octahedra that share  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)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(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Cr site, Cr(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)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(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fourth Cr site, Cr(4) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Cr(2), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share corners with three equivalent O(3)Li3Cr3 octahedra, corners with three equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid, edges with two equivalent O(5)Li2VCr2 square pyramids, edges with two equivalent O(6)Li2VCr2 square pyramids, edges with two equivalent O(7)Li2VCr2 square pyramids, and edges with four equivalent O(10)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(1), one Cr(4), and two equivalent Cr(3) atoms to form OLi3Cr3 octahedra that share corners with three equivalent O(3)Li3Cr3 octahedra, corners with three equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid, edges with two equivalent O(5)Li2VCr2 square pyramids, edges with two equivalent O(6)Li2VCr2 square pyramids, edges with two equivalent O(8)Li2VCr2 square pyramids, and edges with four equivalent O(9)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(4), two equivalent Li(2), one Cr(2), and two equivalent Cr(3) atoms to form OLi3Cr3 octahedra that share corners with three equivalent O(1)Li3Cr3 octahedra, corners with three equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(7)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li2VCr2 square pyramid, edges with two equivalent O(10)Li2VCr2 square pyramids, edges with two equivalent O(11)Li2VCr2 square pyramids, edges with two equivalent O(9)Li2VCr2 square pyramids, and edges with four equivalent O(6)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one Cr(4), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share corners with three equivalent O(1)Li3Cr3 octahedra, corners with three equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(7)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li2VCr2 square pyramid, edges with two equivalent O(10)Li2VCr2 square pyramids, edges with two equivalent O(12)Li2VCr2 square pyramids, edges with two equivalent O(9)Li2VCr2 square pyramids, and edges with four equivalent O(5)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(2), one Cr(1), and one Cr(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(7)Li2VCr2 square pyramid, corners with three equivalent O(10)Li2VCr2 square pyramids, corners with three equivalent O(9)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with two equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one V(1), one Cr(2), and one Cr(3) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(6)Li2VCr2 square pyramid,  a cornercorner with one O(8)Li2VCr2 square pyramid, corners with three equivalent O(10)Li2VCr2 square pyramids, corners with three equivalent O(9)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, and  an edgeedge with one O(7)Li2VCr2 square pyramid. In the seventh O site, O(7) is bonded to two equivalent Li(2), one V(1), and two equivalent Cr(1) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(10)Li2VCr2 square pyramids, corners with two equivalent O(12)Li2VCr2 square pyramids, corners with two equivalent O(5)Li2VCr2 square pyramids, corners with three equivalent O(11)Li2VCr2 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, edges with two equivalent O(10)Li2VCr2 square pyramids, and edges with two equivalent O(6)Li2VCr2 square pyramids. In the eighth O site, O(8) is bonded to two equivalent Li(1), one V(2), and two equivalent Cr(3) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(11)Li2VCr2 square pyramids, corners with two equivalent O(6)Li2VCr2 square pyramids, corners with two equivalent O(9)Li2VCr2 square pyramids, corners with three equivalent O(12)Li2VCr2 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(2)Li3Cr3 octahedra, edges with two equivalent O(5)Li2VCr2 square pyramids, and edges with two equivalent O(9)Li2VCr2 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(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(8)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with three equivalent O(5)Li2VCr2 square pyramids, corners with three equivalent O(6)Li2VCr2 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one V(1), one Cr(1), and one Cr(2) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(7)Li2VCr2 square pyramid, corners with three equivalent O(5)Li2VCr2 square pyramids, corners with three equivalent O(6)Li2VCr2 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, and  an edgeedge with one O(7)Li2VCr2 square pyramid. In the eleventh O site, O(11) is bonded to two equivalent Li(2), one V(1), and two equivalent Cr(3) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(6)Li2VCr2 square pyramids, corners with two equivalent O(8)Li2VCr2 square pyramids, corners with two equivalent O(9)Li2VCr2 square pyramids, corners with three equivalent O(7)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(10)Li2VCr2 square pyramids, and edges with two equivalent O(6)Li2VCr2 square pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(1), one V(2), and two equivalent Cr(1) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(10)Li2VCr2 square pyramids, corners with two equivalent O(5)Li2VCr2 square pyramids, corners with two equivalent O(7)Li2VCr2 square pyramids, corners with three equivalent O(8)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with two equivalent O(4)Li3Cr3 octahedra, edges with two equivalent O(5)Li2VCr2 square pyramids, and edges with two equivalent O(9)Li2VCr2 square pyramids. is represented by the CIF card [CIF]
data_Li3VCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.918
_cell_length_b   5.925
_cell_length_c   5.973
_cell_angle_alpha   119.581
_cell_angle_beta   90.025
_cell_angle_gamma   119.940
_symmetry_Int_Tables_number   1
_cell_volume   149.142
_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
  Cr  Cr0  1  0.999  0.499  1.000  1.0
  Cr  Cr1  1  0.501  0.002  0.999  1.0
  Cr  Cr2  1  0.500  0.499  1.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  1.000  1.000  0.500  1.0
  Li  Li5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.261  0.521  0.779  1.0
  O  O7  1  0.742  0.483  0.225  1.0
  O  O8  1  0.247  0.016  0.783  1.0
  O  O9  1  0.766  0.531  0.783  1.0
  O  O10  1  0.769  0.016  0.783  1.0
  O  O11  1  0.751  0.983  0.215  1.0
  O  O12  1  0.234  0.468  0.217  1.0
  O  O13  1  0.231  0.983  0.215  1.0
  V  V14  1  1.000  0.999  0.000  1.0
[/CIF]
.
The compound described by Li3VCr3O8 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(7), two equivalent O(10), and two equivalent O(6) atoms to form VO6 octahedra that share  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. In the second V site, V(2) is bonded to one O(12), one O(8), two equivalent O(5), and two equivalent O(9) atoms to form VO6 octahedra that share  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)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(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Cr site, Cr(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)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(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fourth Cr site, Cr(4) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Cr(2), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share corners with three equivalent O(3)Li3Cr3 octahedra, corners with three equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid, edges with two equivalent O(5)Li2VCr2 square pyramids, edges with two equivalent O(6)Li2VCr2 square pyramids, edges with two equivalent O(7)Li2VCr2 square pyramids, and edges with four equivalent O(10)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(1), one Cr(4), and two equivalent Cr(3) atoms to form OLi3Cr3 octahedra that share corners with three equivalent O(3)Li3Cr3 octahedra, corners with three equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid, edges with two equivalent O(5)Li2VCr2 square pyramids, edges with two equivalent O(6)Li2VCr2 square pyramids, edges with two equivalent O(8)Li2VCr2 square pyramids, and edges with four equivalent O(9)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(4), two equivalent Li(2), one Cr(2), and two equivalent Cr(3) atoms to form OLi3Cr3 octahedra that share corners with three equivalent O(1)Li3Cr3 octahedra, corners with three equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(7)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li2VCr2 square pyramid, edges with two equivalent O(10)Li2VCr2 square pyramids, edges with two equivalent O(11)Li2VCr2 square pyramids, edges with two equivalent O(9)Li2VCr2 square pyramids, and edges with four equivalent O(6)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one Cr(4), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share corners with three equivalent O(1)Li3Cr3 octahedra, corners with three equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(7)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li2VCr2 square pyramid, edges with two equivalent O(10)Li2VCr2 square pyramids, edges with two equivalent O(12)Li2VCr2 square pyramids, edges with two equivalent O(9)Li2VCr2 square pyramids, and edges with four equivalent O(5)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(2), one Cr(1), and one Cr(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(7)Li2VCr2 square pyramid, corners with three equivalent O(10)Li2VCr2 square pyramids, corners with three equivalent O(9)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with two equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one V(1), one Cr(2), and one Cr(3) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(6)Li2VCr2 square pyramid,  a cornercorner with one O(8)Li2VCr2 square pyramid, corners with three equivalent O(10)Li2VCr2 square pyramids, corners with three equivalent O(9)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, and  an edgeedge with one O(7)Li2VCr2 square pyramid. In the seventh O site, O(7) is bonded to two equivalent Li(2), one V(1), and two equivalent Cr(1) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(10)Li2VCr2 square pyramids, corners with two equivalent O(12)Li2VCr2 square pyramids, corners with two equivalent O(5)Li2VCr2 square pyramids, corners with three equivalent O(11)Li2VCr2 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, edges with two equivalent O(10)Li2VCr2 square pyramids, and edges with two equivalent O(6)Li2VCr2 square pyramids. In the eighth O site, O(8) is bonded to two equivalent Li(1), one V(2), and two equivalent Cr(3) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(11)Li2VCr2 square pyramids, corners with two equivalent O(6)Li2VCr2 square pyramids, corners with two equivalent O(9)Li2VCr2 square pyramids, corners with three equivalent O(12)Li2VCr2 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(2)Li3Cr3 octahedra, edges with two equivalent O(5)Li2VCr2 square pyramids, and edges with two equivalent O(9)Li2VCr2 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(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(8)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with three equivalent O(5)Li2VCr2 square pyramids, corners with three equivalent O(6)Li2VCr2 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one V(1), one Cr(1), and one Cr(2) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(7)Li2VCr2 square pyramid, corners with three equivalent O(5)Li2VCr2 square pyramids, corners with three equivalent O(6)Li2VCr2 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(6)Li2VCr2 square pyramid, and  an edgeedge with one O(7)Li2VCr2 square pyramid. In the eleventh O site, O(11) is bonded to two equivalent Li(2), one V(1), and two equivalent Cr(3) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(6)Li2VCr2 square pyramids, corners with two equivalent O(8)Li2VCr2 square pyramids, corners with two equivalent O(9)Li2VCr2 square pyramids, corners with three equivalent O(7)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(10)Li2VCr2 square pyramids, and edges with two equivalent O(6)Li2VCr2 square pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(1), one V(2), and two equivalent Cr(1) atoms to form OLi2VCr2 square pyramids that share corners with two equivalent O(10)Li2VCr2 square pyramids, corners with two equivalent O(5)Li2VCr2 square pyramids, corners with two equivalent O(7)Li2VCr2 square pyramids, corners with three equivalent O(8)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with two equivalent O(4)Li3Cr3 octahedra, edges with two equivalent O(5)Li2VCr2 square pyramids, and edges with two equivalent O(9)Li2VCr2 square pyramids. is represented by the CIF card [CIF]
data_Li3VCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.918
_cell_length_b   5.925
_cell_length_c   5.973
_cell_angle_alpha   119.581
_cell_angle_beta   90.025
_cell_angle_gamma   119.940
_symmetry_Int_Tables_number   1
_cell_volume   149.142
_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
  Cr  Cr0  1  0.999  0.499  1.000  1.0
  Cr  Cr1  1  0.501  0.002  0.999  1.0
  Cr  Cr2  1  0.500  0.499  1.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  1.000  1.000  0.500  1.0
  Li  Li5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.261  0.521  0.779  1.0
  O  O7  1  0.742  0.483  0.225  1.0
  O  O8  1  0.247  0.016  0.783  1.0
  O  O9  1  0.766  0.531  0.783  1.0
  O  O10  1  0.769  0.016  0.783  1.0
  O  O11  1  0.751  0.983  0.215  1.0
  O  O12  1  0.234  0.468  0.217  1.0
  O  O13  1  0.231  0.983  0.215  1.0
  V  V14  1  1.000  0.999  0.000  1.0
[/CIF]
.