The material structure described by Li2V3CoO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(4), and one V(5) atom. In the third O site, O(3) is bonded to one Li(2), one V(1), one V(5), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(3), and one Co(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(4), one V(5), and one Co(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Co(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(4), and one Co(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Co(2) atom. is represented by the CIF file [CIF]
data_Li2V3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.817
_cell_length_b   5.869
_cell_length_c   5.891
_cell_angle_alpha   60.335
_cell_angle_beta   61.415
_cell_angle_gamma   61.331
_symmetry_Int_Tables_number   1
_cell_volume   145.463
_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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.875  0.878  0.875  1.0
  Li  Li2  1  0.125  0.122  0.124  1.0
  O  O3  1  0.270  0.251  0.264  1.0
  O  O4  1  0.730  0.748  0.736  1.0
  O  O5  1  0.730  0.743  0.288  1.0
  O  O6  1  0.738  0.291  0.735  1.0
  O  O7  1  0.289  0.734  0.729  1.0
  O  O8  1  0.711  0.266  0.272  1.0
  O  O9  1  0.262  0.709  0.265  1.0
  O  O10  1  0.271  0.257  0.711  1.0
  V  V11  1  0.500  1.000  0.500  1.0
  V  V12  1  0.500  0.500  1.000  1.0
  V  V13  1  1.000  0.500  0.500  1.0
[/CIF]
.
The material structure described by Li2V3CoO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(4), and one V(5) atom. In the third O site, O(3) is bonded to one Li(2), one V(1), one V(5), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(3), and one Co(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(4), one V(5), and one Co(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Co(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(4), and one Co(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Co(2) atom. is represented by the CIF file [CIF]
data_Li2V3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.817
_cell_length_b   5.869
_cell_length_c   5.891
_cell_angle_alpha   60.335
_cell_angle_beta   61.415
_cell_angle_gamma   61.331
_symmetry_Int_Tables_number   1
_cell_volume   145.463
_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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.875  0.878  0.875  1.0
  Li  Li2  1  0.125  0.122  0.124  1.0
  O  O3  1  0.270  0.251  0.264  1.0
  O  O4  1  0.730  0.748  0.736  1.0
  O  O5  1  0.730  0.743  0.288  1.0
  O  O6  1  0.738  0.291  0.735  1.0
  O  O7  1  0.289  0.734  0.729  1.0
  O  O8  1  0.711  0.266  0.272  1.0
  O  O9  1  0.262  0.709  0.265  1.0
  O  O10  1  0.271  0.257  0.711  1.0
  V  V11  1  0.500  1.000  0.500  1.0
  V  V12  1  0.500  0.500  1.000  1.0
  V  V13  1  1.000  0.500  0.500  1.0
[/CIF]
.