The structure described by Li2VCO5 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(19), two equivalent O(17), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the second Li site, Li(2) is bonded to one O(1), one O(20), two equivalent O(16), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the third Li site, Li(3) is bonded to one O(18), one O(3), two equivalent O(19), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the fourth Li site, Li(4) is bonded to one O(2), one O(20), two equivalent O(18), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the fifth Li site, Li(5) is bonded to one O(11), one O(9), two equivalent O(13), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), two equivalent O(15), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the seventh Li site, Li(7) is bonded to one O(13), one O(8), two equivalent O(12), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the eighth Li site, Li(8) is bonded to one O(10), one O(12), two equivalent O(14), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-63°. In the second V site, V(2) is bonded to one O(4), one O(6), two equivalent O(10), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-65°. In the third V site, V(3) is bonded to one O(15), one O(17), two equivalent O(11), and two equivalent O(19) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-63°. In the fourth V site, V(4) is bonded to one O(14), one O(16), two equivalent O(12), and two equivalent O(20) atoms to form VO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-63°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(18) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(13), one O(16), and one O(17) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), and two equivalent V(1) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(19)Li3V2 square pyramid, corners with two equivalent O(9)Li3V2 square pyramids,  a cornercorner with one O(20)Li2V2 tetrahedra, corners with two equivalent O(1)Li2V2 tetrahedra, and  an edgeedge with one O(9)Li3V2 square pyramid. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(3), and two equivalent V(2) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(19)Li3V2 square pyramids,  a cornercorner with one O(20)Li2V2 tetrahedra, corners with two equivalent O(10)Li2V2 tetrahedra,  an edgeedge with one O(19)Li3V2 square pyramid, edges with two equivalent O(2)Li3V2 square pyramids, and  an edgeedge with one O(10)Li2V2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(4), one V(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one V(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(6), one V(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(5), one V(1), and one C(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(7), two equivalent Li(8), and one C(1) atom. In the ninth O site, O(9) is bonded to one Li(5), two equivalent Li(7), and two equivalent V(1) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(12)Li3V2 square pyramids,  a cornercorner with one O(11)Li2V2 tetrahedra, corners with two equivalent O(1)Li2V2 tetrahedra,  an edgeedge with one O(12)Li3V2 square pyramid, edges with two equivalent O(9)Li3V2 square pyramids, and  an edgeedge with one O(1)Li2V2 tetrahedra. In the tenth O site, O(10) is bonded to one Li(6), one Li(8), and two equivalent V(2) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(12)Li3V2 square pyramid, corners with two equivalent O(2)Li3V2 square pyramids,  a cornercorner with one O(11)Li2V2 tetrahedra, corners with two equivalent O(10)Li2V2 tetrahedra, and  an edgeedge with one O(2)Li3V2 square pyramid. In the eleventh O site, O(11) is bonded to one Li(5), one Li(6), and two equivalent V(3) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(9)Li3V2 square pyramid, corners with two equivalent O(19)Li3V2 square pyramids,  a cornercorner with one O(10)Li2V2 tetrahedra, corners with two equivalent O(11)Li2V2 tetrahedra, and  an edgeedge with one O(19)Li3V2 square pyramid. In the twelfth O site, O(12) is bonded to one Li(8), two equivalent Li(7), and two equivalent V(4) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(9)Li3V2 square pyramids,  a cornercorner with one O(10)Li2V2 tetrahedra, corners with two equivalent O(20)Li2V2 tetrahedra,  an edgeedge with one O(9)Li3V2 square pyramid, edges with two equivalent O(12)Li3V2 square pyramids, and  an edgeedge with one O(20)Li2V2 tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(7), two equivalent Li(5), and one C(4) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(8), one V(4), and one C(3) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to two equivalent Li(6), one V(3), and one C(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one V(4), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(3), and one C(4) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(4), and one C(3) atom. In the nineteenth O site, O(19) is bonded to one Li(1), two equivalent Li(3), and two equivalent V(3) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(2)Li3V2 square pyramids,  a cornercorner with one O(1)Li2V2 tetrahedra, corners with two equivalent O(11)Li2V2 tetrahedra,  an edgeedge with one O(2)Li3V2 square pyramid, edges with two equivalent O(19)Li3V2 square pyramids, and  an edgeedge with one O(11)Li2V2 tetrahedra. In the twentieth O site, O(20) is bonded to one Li(2), one Li(4), and two equivalent V(4) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(2)Li3V2 square pyramid, corners with two equivalent O(12)Li3V2 square pyramids,  a cornercorner with one O(1)Li2V2 tetrahedra, corners with two equivalent O(20)Li2V2 tetrahedra, and  an edgeedge with one O(12)Li3V2 square pyramid. is represented by the CIF file [CIF]
data_Li2VCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.927
_cell_length_b   9.389
_cell_length_c   12.050
_cell_angle_alpha   90.010
_cell_angle_beta   90.154
_cell_angle_gamma   91.037
_symmetry_Int_Tables_number   1
_cell_volume   331.065
_cell_formula_units_Z   4
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  0.498  0.005  0.719  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.989  1.000  0.500  1.0
  Li  Li3  1  0.496  0.995  0.281  1.0
  Li  Li4  1  0.498  0.505  0.781  1.0
  Li  Li5  1  0.506  0.500  0.500  1.0
  Li  Li6  1  0.000  0.500  0.000  1.0
  Li  Li7  1  0.504  0.495  0.219  1.0
  V  V8  1  0.003  0.243  0.887  1.0
  V  V9  1  0.002  0.257  0.387  1.0
  V  V10  1  0.003  0.743  0.613  1.0
  V  V11  1  0.998  0.757  0.113  1.0
  C  C12  1  1.000  0.233  0.139  1.0
  C  C13  1  0.001  0.267  0.639  1.0
  C  C14  1  0.001  0.733  0.361  1.0
  C  C15  1  0.999  0.767  0.861  1.0
  O  O16  1  0.524  0.117  0.857  1.0
  O  O17  1  0.465  0.128  0.421  1.0
  O  O18  1  0.999  0.132  0.638  1.0
  O  O19  1  0.991  0.161  0.232  1.0
  O  O20  1  0.007  0.157  0.047  1.0
  O  O21  1  0.010  0.343  0.547  1.0
  O  O22  1  0.993  0.340  0.732  1.0
  O  O23  1  0.001  0.368  0.138  1.0
  O  O24  1  0.475  0.373  0.921  1.0
  O  O25  1  0.538  0.383  0.357  1.0
  O  O26  1  0.525  0.617  0.643  1.0
  O  O27  1  0.525  0.627  0.079  1.0
  O  O28  1  0.006  0.632  0.862  1.0
  O  O29  1  0.009  0.661  0.268  1.0
  O  O30  1  0.008  0.657  0.453  1.0
  O  O31  1  0.993  0.843  0.953  1.0
  O  O32  1  0.994  0.840  0.768  1.0
  O  O33  1  0.988  0.868  0.362  1.0
  O  O34  1  0.474  0.873  0.579  1.0
  O  O35  1  0.476  0.883  0.143  1.0
[/CIF]
.
The structure described by Li2VCO5 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(19), two equivalent O(17), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the second Li site, Li(2) is bonded to one O(1), one O(20), two equivalent O(16), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the third Li site, Li(3) is bonded to one O(18), one O(3), two equivalent O(19), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the fourth Li site, Li(4) is bonded to one O(2), one O(20), two equivalent O(18), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the fifth Li site, Li(5) is bonded to one O(11), one O(9), two equivalent O(13), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), two equivalent O(15), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the seventh Li site, Li(7) is bonded to one O(13), one O(8), two equivalent O(12), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the eighth Li site, Li(8) is bonded to one O(10), one O(12), two equivalent O(14), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-63°. In the second V site, V(2) is bonded to one O(4), one O(6), two equivalent O(10), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-65°. In the third V site, V(3) is bonded to one O(15), one O(17), two equivalent O(11), and two equivalent O(19) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-63°. In the fourth V site, V(4) is bonded to one O(14), one O(16), two equivalent O(12), and two equivalent O(20) atoms to form VO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-63°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(18) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(13), one O(16), and one O(17) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), and two equivalent V(1) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(19)Li3V2 square pyramid, corners with two equivalent O(9)Li3V2 square pyramids,  a cornercorner with one O(20)Li2V2 tetrahedra, corners with two equivalent O(1)Li2V2 tetrahedra, and  an edgeedge with one O(9)Li3V2 square pyramid. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(3), and two equivalent V(2) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(19)Li3V2 square pyramids,  a cornercorner with one O(20)Li2V2 tetrahedra, corners with two equivalent O(10)Li2V2 tetrahedra,  an edgeedge with one O(19)Li3V2 square pyramid, edges with two equivalent O(2)Li3V2 square pyramids, and  an edgeedge with one O(10)Li2V2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(4), one V(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one V(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(6), one V(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(5), one V(1), and one C(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(7), two equivalent Li(8), and one C(1) atom. In the ninth O site, O(9) is bonded to one Li(5), two equivalent Li(7), and two equivalent V(1) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(12)Li3V2 square pyramids,  a cornercorner with one O(11)Li2V2 tetrahedra, corners with two equivalent O(1)Li2V2 tetrahedra,  an edgeedge with one O(12)Li3V2 square pyramid, edges with two equivalent O(9)Li3V2 square pyramids, and  an edgeedge with one O(1)Li2V2 tetrahedra. In the tenth O site, O(10) is bonded to one Li(6), one Li(8), and two equivalent V(2) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(12)Li3V2 square pyramid, corners with two equivalent O(2)Li3V2 square pyramids,  a cornercorner with one O(11)Li2V2 tetrahedra, corners with two equivalent O(10)Li2V2 tetrahedra, and  an edgeedge with one O(2)Li3V2 square pyramid. In the eleventh O site, O(11) is bonded to one Li(5), one Li(6), and two equivalent V(3) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(9)Li3V2 square pyramid, corners with two equivalent O(19)Li3V2 square pyramids,  a cornercorner with one O(10)Li2V2 tetrahedra, corners with two equivalent O(11)Li2V2 tetrahedra, and  an edgeedge with one O(19)Li3V2 square pyramid. In the twelfth O site, O(12) is bonded to one Li(8), two equivalent Li(7), and two equivalent V(4) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(9)Li3V2 square pyramids,  a cornercorner with one O(10)Li2V2 tetrahedra, corners with two equivalent O(20)Li2V2 tetrahedra,  an edgeedge with one O(9)Li3V2 square pyramid, edges with two equivalent O(12)Li3V2 square pyramids, and  an edgeedge with one O(20)Li2V2 tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(7), two equivalent Li(5), and one C(4) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(8), one V(4), and one C(3) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to two equivalent Li(6), one V(3), and one C(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one V(4), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(3), and one C(4) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(4), and one C(3) atom. In the nineteenth O site, O(19) is bonded to one Li(1), two equivalent Li(3), and two equivalent V(3) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(2)Li3V2 square pyramids,  a cornercorner with one O(1)Li2V2 tetrahedra, corners with two equivalent O(11)Li2V2 tetrahedra,  an edgeedge with one O(2)Li3V2 square pyramid, edges with two equivalent O(19)Li3V2 square pyramids, and  an edgeedge with one O(11)Li2V2 tetrahedra. In the twentieth O site, O(20) is bonded to one Li(2), one Li(4), and two equivalent V(4) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(2)Li3V2 square pyramid, corners with two equivalent O(12)Li3V2 square pyramids,  a cornercorner with one O(1)Li2V2 tetrahedra, corners with two equivalent O(20)Li2V2 tetrahedra, and  an edgeedge with one O(12)Li3V2 square pyramid. is represented by the CIF file [CIF]
data_Li2VCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.927
_cell_length_b   9.389
_cell_length_c   12.050
_cell_angle_alpha   90.010
_cell_angle_beta   90.154
_cell_angle_gamma   91.037
_symmetry_Int_Tables_number   1
_cell_volume   331.065
_cell_formula_units_Z   4
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  0.498  0.005  0.719  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.989  1.000  0.500  1.0
  Li  Li3  1  0.496  0.995  0.281  1.0
  Li  Li4  1  0.498  0.505  0.781  1.0
  Li  Li5  1  0.506  0.500  0.500  1.0
  Li  Li6  1  0.000  0.500  0.000  1.0
  Li  Li7  1  0.504  0.495  0.219  1.0
  V  V8  1  0.003  0.243  0.887  1.0
  V  V9  1  0.002  0.257  0.387  1.0
  V  V10  1  0.003  0.743  0.613  1.0
  V  V11  1  0.998  0.757  0.113  1.0
  C  C12  1  1.000  0.233  0.139  1.0
  C  C13  1  0.001  0.267  0.639  1.0
  C  C14  1  0.001  0.733  0.361  1.0
  C  C15  1  0.999  0.767  0.861  1.0
  O  O16  1  0.524  0.117  0.857  1.0
  O  O17  1  0.465  0.128  0.421  1.0
  O  O18  1  0.999  0.132  0.638  1.0
  O  O19  1  0.991  0.161  0.232  1.0
  O  O20  1  0.007  0.157  0.047  1.0
  O  O21  1  0.010  0.343  0.547  1.0
  O  O22  1  0.993  0.340  0.732  1.0
  O  O23  1  0.001  0.368  0.138  1.0
  O  O24  1  0.475  0.373  0.921  1.0
  O  O25  1  0.538  0.383  0.357  1.0
  O  O26  1  0.525  0.617  0.643  1.0
  O  O27  1  0.525  0.627  0.079  1.0
  O  O28  1  0.006  0.632  0.862  1.0
  O  O29  1  0.009  0.661  0.268  1.0
  O  O30  1  0.008  0.657  0.453  1.0
  O  O31  1  0.993  0.843  0.953  1.0
  O  O32  1  0.994  0.840  0.768  1.0
  O  O33  1  0.988  0.868  0.362  1.0
  O  O34  1  0.474  0.873  0.579  1.0
  O  O35  1  0.476  0.883  0.143  1.0
[/CIF]
.