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(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Co(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(1), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) 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(2)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) 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(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) 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(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) 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(3)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(6), and two equivalent O(8) 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(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) 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(1)O6 octahedra. Co(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  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, and  an edgeedge with one V(6)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(2), one V(1), one V(2), and one V(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(3), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(6), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(6), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one V(3), one V(5), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one V(1), one V(2), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li2V3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.820
_cell_length_b   5.959
_cell_length_c   5.861
_cell_angle_alpha   120.023
_cell_angle_beta   118.608
_cell_angle_gamma   90.663
_symmetry_Int_Tables_number   1
_cell_volume   145.822
_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  1.000  1.0
  Li  Li1  1  0.877  0.126  0.250  1.0
  Li  Li2  1  0.123  0.874  0.750  1.0
  O  O3  1  0.255  0.738  0.469  1.0
  O  O4  1  0.745  0.262  0.531  1.0
  O  O5  1  0.291  0.274  0.535  1.0
  O  O6  1  0.731  0.263  0.974  1.0
  O  O7  1  0.747  0.711  0.984  1.0
  O  O8  1  0.253  0.289  0.015  1.0
  O  O9  1  0.269  0.737  0.026  1.0
  O  O10  1  0.709  0.726  0.465  1.0
  V  V11  1  0.500  0.500  0.500  1.0
  V  V12  1  0.000  0.500  0.000  1.0
  V  V13  1  0.500  0.000  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(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Co(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(1), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) 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(2)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) 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(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) 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(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) 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(3)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(6), and two equivalent O(8) 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(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) 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(1)O6 octahedra. Co(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  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, and  an edgeedge with one V(6)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(2), one V(1), one V(2), and one V(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(3), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(6), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(6), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one V(3), one V(5), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one V(1), one V(2), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li2V3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.820
_cell_length_b   5.959
_cell_length_c   5.861
_cell_angle_alpha   120.023
_cell_angle_beta   118.608
_cell_angle_gamma   90.663
_symmetry_Int_Tables_number   1
_cell_volume   145.822
_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  1.000  1.0
  Li  Li1  1  0.877  0.126  0.250  1.0
  Li  Li2  1  0.123  0.874  0.750  1.0
  O  O3  1  0.255  0.738  0.469  1.0
  O  O4  1  0.745  0.262  0.531  1.0
  O  O5  1  0.291  0.274  0.535  1.0
  O  O6  1  0.731  0.263  0.974  1.0
  O  O7  1  0.747  0.711  0.984  1.0
  O  O8  1  0.253  0.289  0.015  1.0
  O  O9  1  0.269  0.737  0.026  1.0
  O  O10  1  0.709  0.726  0.465  1.0
  V  V11  1  0.500  0.500  0.500  1.0
  V  V12  1  0.000  0.500  0.000  1.0
  V  V13  1  0.500  0.000  0.500  1.0
[/CIF]
.