The compound described by Li2V3CoO8 is Spinel-derived structured and 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(10), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)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(6)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 54-62°. In the second Li site, Li(2) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(13), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)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(6)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the fourth Li site, Li(4) is bonded to one O(11), one O(14), one O(15), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent V(3)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 55-64°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)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 one O(1), one O(10), one O(12), one O(14), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the third V site, V(3) is bonded to one O(13), one O(15), one O(2), one O(4), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one 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 one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. In the fifth V site, V(5) is bonded to one O(11), one O(13), one O(2), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the sixth V site, V(6) is bonded to one O(1), one O(14), one O(16), one O(3), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(4), 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(4), one V(1), one V(3), and one V(5) atom. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(2), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiV3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one V(3), one V(4), and one V(5) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(6), and one Co(2) atom to form distorted OLiV2Co tetrahedra that share  a cornercorner with one O(10)LiV2Co tetrahedra,  a cornercorner with one O(3)LiV3 tetrahedra, corners with two equivalent O(14)LiV2Co trigonal pyramids,  an edgeedge with one O(10)LiV2Co tetrahedra,  an edgeedge with one O(3)LiV3 tetrahedra, and  an edgeedge with one O(8)LiV2Co trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(3), one V(5), and one Co(1) atom. In the eighth O site, O(8) is bonded to one Li(2), one V(2), one V(6), and one Co(2) atom to form distorted OLiV2Co trigonal pyramids that share  a cornercorner with one O(4)LiV3 trigonal pyramid, corners with three equivalent O(14)LiV2Co trigonal pyramids,  an edgeedge with one O(10)LiV2Co tetrahedra,  an edgeedge with one O(6)LiV2Co tetrahedra, and  an edgeedge with one O(3)LiV3 tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Co(1) atom. In the tenth O site, O(10) is bonded to one Li(1), one V(1), one V(2), and one Co(2) atom to form distorted OLiV2Co tetrahedra that share  a cornercorner with one O(6)LiV2Co tetrahedra,  a cornercorner with one O(3)LiV3 tetrahedra, corners with two equivalent O(14)LiV2Co trigonal pyramids,  an edgeedge with one O(6)LiV2Co tetrahedra,  an edgeedge with one O(3)LiV3 tetrahedra, and  an edgeedge with one O(8)LiV2Co trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(5), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(4), and one Co(2) atom. In the thirteenth O site, O(13) is bonded to one Li(3), one V(3), one V(5), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(4), one V(2), one V(6), and one Co(2) atom to form distorted OLiV2Co trigonal pyramids that share corners with two equivalent O(10)LiV2Co tetrahedra, corners with two equivalent O(6)LiV2Co tetrahedra, corners with two equivalent O(3)LiV3 tetrahedra, and corners with three equivalent O(8)LiV2Co trigonal pyramids. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one Co(1) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(4), one V(6), and one Co(2) atom. is represented by the CIF card [CIF]
data_Li2V3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.873
_cell_length_c   5.896
_cell_angle_alpha   60.612
_cell_angle_beta   60.829
_cell_angle_gamma   61.382
_symmetry_Int_Tables_number   1
_cell_volume   145.203
_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  0.498  0.502  0.500  1.0
  Li  Li1  1  0.122  0.125  0.126  1.0
  Li  Li2  1  0.880  0.873  0.876  1.0
  O  O3  1  0.741  0.738  0.737  1.0
  O  O4  1  0.260  0.260  0.265  1.0
  O  O5  1  0.258  0.710  0.270  1.0
  O  O6  1  0.258  0.267  0.711  1.0
  O  O7  1  0.710  0.272  0.266  1.0
  O  O8  1  0.290  0.729  0.736  1.0
  O  O9  1  0.739  0.735  0.290  1.0
  O  O10  1  0.739  0.289  0.728  1.0
  V  V11  1  0.504  0.501  0.998  1.0
  V  V12  1  0.501  0.001  0.501  1.0
  V  V13  1  0.002  0.496  0.497  1.0
[/CIF]
.
The compound described by Li2V3CoO8 is Spinel-derived structured and 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(10), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)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(6)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 54-62°. In the second Li site, Li(2) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(13), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)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(6)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the fourth Li site, Li(4) is bonded to one O(11), one O(14), one O(15), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent V(3)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 55-64°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)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 one O(1), one O(10), one O(12), one O(14), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the third V site, V(3) is bonded to one O(13), one O(15), one O(2), one O(4), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one 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 one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. In the fifth V site, V(5) is bonded to one O(11), one O(13), one O(2), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the sixth V site, V(6) is bonded to one O(1), one O(14), one O(16), one O(3), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(4), 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(4), one V(1), one V(3), and one V(5) atom. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(2), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiV3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one V(3), one V(4), and one V(5) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(6), and one Co(2) atom to form distorted OLiV2Co tetrahedra that share  a cornercorner with one O(10)LiV2Co tetrahedra,  a cornercorner with one O(3)LiV3 tetrahedra, corners with two equivalent O(14)LiV2Co trigonal pyramids,  an edgeedge with one O(10)LiV2Co tetrahedra,  an edgeedge with one O(3)LiV3 tetrahedra, and  an edgeedge with one O(8)LiV2Co trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(3), one V(5), and one Co(1) atom. In the eighth O site, O(8) is bonded to one Li(2), one V(2), one V(6), and one Co(2) atom to form distorted OLiV2Co trigonal pyramids that share  a cornercorner with one O(4)LiV3 trigonal pyramid, corners with three equivalent O(14)LiV2Co trigonal pyramids,  an edgeedge with one O(10)LiV2Co tetrahedra,  an edgeedge with one O(6)LiV2Co tetrahedra, and  an edgeedge with one O(3)LiV3 tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Co(1) atom. In the tenth O site, O(10) is bonded to one Li(1), one V(1), one V(2), and one Co(2) atom to form distorted OLiV2Co tetrahedra that share  a cornercorner with one O(6)LiV2Co tetrahedra,  a cornercorner with one O(3)LiV3 tetrahedra, corners with two equivalent O(14)LiV2Co trigonal pyramids,  an edgeedge with one O(6)LiV2Co tetrahedra,  an edgeedge with one O(3)LiV3 tetrahedra, and  an edgeedge with one O(8)LiV2Co trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(5), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(4), and one Co(2) atom. In the thirteenth O site, O(13) is bonded to one Li(3), one V(3), one V(5), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(4), one V(2), one V(6), and one Co(2) atom to form distorted OLiV2Co trigonal pyramids that share corners with two equivalent O(10)LiV2Co tetrahedra, corners with two equivalent O(6)LiV2Co tetrahedra, corners with two equivalent O(3)LiV3 tetrahedra, and corners with three equivalent O(8)LiV2Co trigonal pyramids. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one Co(1) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(4), one V(6), and one Co(2) atom. is represented by the CIF card [CIF]
data_Li2V3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.873
_cell_length_c   5.896
_cell_angle_alpha   60.612
_cell_angle_beta   60.829
_cell_angle_gamma   61.382
_symmetry_Int_Tables_number   1
_cell_volume   145.203
_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  0.498  0.502  0.500  1.0
  Li  Li1  1  0.122  0.125  0.126  1.0
  Li  Li2  1  0.880  0.873  0.876  1.0
  O  O3  1  0.741  0.738  0.737  1.0
  O  O4  1  0.260  0.260  0.265  1.0
  O  O5  1  0.258  0.710  0.270  1.0
  O  O6  1  0.258  0.267  0.711  1.0
  O  O7  1  0.710  0.272  0.266  1.0
  O  O8  1  0.290  0.729  0.736  1.0
  O  O9  1  0.739  0.735  0.290  1.0
  O  O10  1  0.739  0.289  0.728  1.0
  V  V11  1  0.504  0.501  0.998  1.0
  V  V12  1  0.501  0.001  0.501  1.0
  V  V13  1  0.002  0.496  0.497  1.0
[/CIF]
.