The material structure described by Li2CrCo3O8 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 Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(6)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. Cr(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 CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) 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 Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) 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 Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) 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 Cr(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) 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 Cr(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) 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 Cr(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) 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 Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)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 Co(1), one Co(2), and one Co(6) atom. In the second O site, O(2) is bonded to one Li(1), one Co(3), one Co(4), and one Co(5) atom to form distorted OLiCo3 trigonal pyramids that share  a cornercorner with one O(7)LiCrCo2 tetrahedra, corners with two equivalent O(4)LiCrCo2 tetrahedra,  a cornercorner with one O(3)LiCrCo2 trigonal pyramid,  a cornercorner with one O(5)LiCrCo2 trigonal pyramid, corners with two equivalent O(6)LiCrCo2 trigonal pyramids, corners with three equivalent O(2)LiCo3 trigonal pyramids,  an edgeedge with one O(4)LiCrCo2 tetrahedra, and  an edgeedge with one O(6)LiCrCo2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Cr(1), one Co(1), and one Co(6) atom to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(4)LiCrCo2 tetrahedra, corners with two equivalent O(7)LiCrCo2 tetrahedra,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  a cornercorner with one O(6)LiCrCo2 trigonal pyramid, corners with two equivalent O(3)LiCrCo2 trigonal pyramids, corners with two equivalent O(5)LiCrCo2 trigonal pyramids,  an edgeedge with one O(7)LiCrCo2 tetrahedra, and  an edgeedge with one O(5)LiCrCo2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Cr(1), one Co(3), and one Co(4) atom to form distorted OLiCrCo2 tetrahedra that share  a cornercorner with one O(7)LiCrCo2 tetrahedra, corners with two equivalent O(4)LiCrCo2 tetrahedra,  a cornercorner with one O(3)LiCrCo2 trigonal pyramid,  a cornercorner with one O(5)LiCrCo2 trigonal pyramid, corners with two equivalent O(2)LiCo3 trigonal pyramids, corners with two equivalent O(6)LiCrCo2 trigonal pyramids,  an edgeedge with one O(2)LiCo3 trigonal pyramid, and  an edgeedge with one O(6)LiCrCo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Cr(1), one Co(2), and one Co(6) atom to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(4)LiCrCo2 tetrahedra, corners with two equivalent O(7)LiCrCo2 tetrahedra,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  a cornercorner with one O(6)LiCrCo2 trigonal pyramid, corners with two equivalent O(3)LiCrCo2 trigonal pyramids, corners with two equivalent O(5)LiCrCo2 trigonal pyramids,  an edgeedge with one O(7)LiCrCo2 tetrahedra, and  an edgeedge with one O(3)LiCrCo2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Cr(1), one Co(3), and one Co(5) atom to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(7)LiCrCo2 tetrahedra, corners with two equivalent O(4)LiCrCo2 tetrahedra,  a cornercorner with one O(3)LiCrCo2 trigonal pyramid,  a cornercorner with one O(5)LiCrCo2 trigonal pyramid, corners with two equivalent O(2)LiCo3 trigonal pyramids, corners with two equivalent O(6)LiCrCo2 trigonal pyramids,  an edgeedge with one O(4)LiCrCo2 tetrahedra, and  an edgeedge with one O(2)LiCo3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Cr(1), one Co(1), and one Co(2) atom to form distorted OLiCrCo2 tetrahedra that share  a cornercorner with one O(4)LiCrCo2 tetrahedra, corners with two equivalent O(7)LiCrCo2 tetrahedra,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  a cornercorner with one O(6)LiCrCo2 trigonal pyramid, corners with two equivalent O(3)LiCrCo2 trigonal pyramids, corners with two equivalent O(5)LiCrCo2 trigonal pyramids,  an edgeedge with one O(3)LiCrCo2 trigonal pyramid, and  an edgeedge with one O(5)LiCrCo2 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Co(4), and one Co(5) atom. is represented by the CIF card [CIF]
data_Li2CrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.807
_cell_length_b   10.176
_cell_length_c   5.806
_cell_angle_alpha   73.104
_cell_angle_beta   59.204
_cell_angle_gamma   72.554
_symmetry_Int_Tables_number   1
_cell_volume   277.197
_cell_formula_units_Z   2
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  0.564  0.318  0.563  1.0
  Li  Li1  1  0.064  0.818  0.053  1.0
  Li  Li2  1  0.936  0.182  0.947  1.0
  Li  Li3  1  0.436  0.682  0.437  1.0
  Cr  Cr4  1  0.254  0.250  0.253  1.0
  Cr  Cr5  1  0.746  0.750  0.747  1.0
  Co  Co6  1  0.500  0.500  0.000  1.0
  Co  Co7  1  1.000  0.500  0.000  1.0
  Co  Co8  1  0.500  1.000  0.000  1.0
  Co  Co9  1  1.000  0.000  0.500  1.0
  Co  Co10  1  0.500  1.000  0.500  1.0
  Co  Co11  1  1.000  0.500  0.500  1.0
  O  O12  1  0.850  0.390  0.859  1.0
  O  O13  1  0.368  0.897  0.369  1.0
  O  O14  1  0.632  0.103  0.631  1.0
  O  O15  1  0.150  0.610  0.141  1.0
  O  O16  1  0.354  0.389  0.356  1.0
  O  O17  1  0.857  0.885  0.847  1.0
  O  O18  1  0.904  0.392  0.358  1.0
  O  O19  1  0.402  0.892  0.850  1.0
  O  O20  1  0.358  0.388  0.908  1.0
  O  O21  1  0.846  0.885  0.397  1.0
  O  O22  1  0.154  0.115  0.603  1.0
  O  O23  1  0.642  0.612  0.092  1.0
  O  O24  1  0.598  0.108  0.150  1.0
  O  O25  1  0.096  0.608  0.642  1.0
  O  O26  1  0.143  0.115  0.153  1.0
  O  O27  1  0.646  0.611  0.644  1.0
[/CIF]
.
The material structure described by Li2CrCo3O8 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 Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(6)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. Cr(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 CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) 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 Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) 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 Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) 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 Cr(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) 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 Cr(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) 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 Cr(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) 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 Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)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 Co(1), one Co(2), and one Co(6) atom. In the second O site, O(2) is bonded to one Li(1), one Co(3), one Co(4), and one Co(5) atom to form distorted OLiCo3 trigonal pyramids that share  a cornercorner with one O(7)LiCrCo2 tetrahedra, corners with two equivalent O(4)LiCrCo2 tetrahedra,  a cornercorner with one O(3)LiCrCo2 trigonal pyramid,  a cornercorner with one O(5)LiCrCo2 trigonal pyramid, corners with two equivalent O(6)LiCrCo2 trigonal pyramids, corners with three equivalent O(2)LiCo3 trigonal pyramids,  an edgeedge with one O(4)LiCrCo2 tetrahedra, and  an edgeedge with one O(6)LiCrCo2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Cr(1), one Co(1), and one Co(6) atom to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(4)LiCrCo2 tetrahedra, corners with two equivalent O(7)LiCrCo2 tetrahedra,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  a cornercorner with one O(6)LiCrCo2 trigonal pyramid, corners with two equivalent O(3)LiCrCo2 trigonal pyramids, corners with two equivalent O(5)LiCrCo2 trigonal pyramids,  an edgeedge with one O(7)LiCrCo2 tetrahedra, and  an edgeedge with one O(5)LiCrCo2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Cr(1), one Co(3), and one Co(4) atom to form distorted OLiCrCo2 tetrahedra that share  a cornercorner with one O(7)LiCrCo2 tetrahedra, corners with two equivalent O(4)LiCrCo2 tetrahedra,  a cornercorner with one O(3)LiCrCo2 trigonal pyramid,  a cornercorner with one O(5)LiCrCo2 trigonal pyramid, corners with two equivalent O(2)LiCo3 trigonal pyramids, corners with two equivalent O(6)LiCrCo2 trigonal pyramids,  an edgeedge with one O(2)LiCo3 trigonal pyramid, and  an edgeedge with one O(6)LiCrCo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Cr(1), one Co(2), and one Co(6) atom to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(4)LiCrCo2 tetrahedra, corners with two equivalent O(7)LiCrCo2 tetrahedra,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  a cornercorner with one O(6)LiCrCo2 trigonal pyramid, corners with two equivalent O(3)LiCrCo2 trigonal pyramids, corners with two equivalent O(5)LiCrCo2 trigonal pyramids,  an edgeedge with one O(7)LiCrCo2 tetrahedra, and  an edgeedge with one O(3)LiCrCo2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Cr(1), one Co(3), and one Co(5) atom to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(7)LiCrCo2 tetrahedra, corners with two equivalent O(4)LiCrCo2 tetrahedra,  a cornercorner with one O(3)LiCrCo2 trigonal pyramid,  a cornercorner with one O(5)LiCrCo2 trigonal pyramid, corners with two equivalent O(2)LiCo3 trigonal pyramids, corners with two equivalent O(6)LiCrCo2 trigonal pyramids,  an edgeedge with one O(4)LiCrCo2 tetrahedra, and  an edgeedge with one O(2)LiCo3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Cr(1), one Co(1), and one Co(2) atom to form distorted OLiCrCo2 tetrahedra that share  a cornercorner with one O(4)LiCrCo2 tetrahedra, corners with two equivalent O(7)LiCrCo2 tetrahedra,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  a cornercorner with one O(6)LiCrCo2 trigonal pyramid, corners with two equivalent O(3)LiCrCo2 trigonal pyramids, corners with two equivalent O(5)LiCrCo2 trigonal pyramids,  an edgeedge with one O(3)LiCrCo2 trigonal pyramid, and  an edgeedge with one O(5)LiCrCo2 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Co(4), and one Co(5) atom. is represented by the CIF card [CIF]
data_Li2CrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.807
_cell_length_b   10.176
_cell_length_c   5.806
_cell_angle_alpha   73.104
_cell_angle_beta   59.204
_cell_angle_gamma   72.554
_symmetry_Int_Tables_number   1
_cell_volume   277.197
_cell_formula_units_Z   2
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  0.564  0.318  0.563  1.0
  Li  Li1  1  0.064  0.818  0.053  1.0
  Li  Li2  1  0.936  0.182  0.947  1.0
  Li  Li3  1  0.436  0.682  0.437  1.0
  Cr  Cr4  1  0.254  0.250  0.253  1.0
  Cr  Cr5  1  0.746  0.750  0.747  1.0
  Co  Co6  1  0.500  0.500  0.000  1.0
  Co  Co7  1  1.000  0.500  0.000  1.0
  Co  Co8  1  0.500  1.000  0.000  1.0
  Co  Co9  1  1.000  0.000  0.500  1.0
  Co  Co10  1  0.500  1.000  0.500  1.0
  Co  Co11  1  1.000  0.500  0.500  1.0
  O  O12  1  0.850  0.390  0.859  1.0
  O  O13  1  0.368  0.897  0.369  1.0
  O  O14  1  0.632  0.103  0.631  1.0
  O  O15  1  0.150  0.610  0.141  1.0
  O  O16  1  0.354  0.389  0.356  1.0
  O  O17  1  0.857  0.885  0.847  1.0
  O  O18  1  0.904  0.392  0.358  1.0
  O  O19  1  0.402  0.892  0.850  1.0
  O  O20  1  0.358  0.388  0.908  1.0
  O  O21  1  0.846  0.885  0.397  1.0
  O  O22  1  0.154  0.115  0.603  1.0
  O  O23  1  0.642  0.612  0.092  1.0
  O  O24  1  0.598  0.108  0.150  1.0
  O  O25  1  0.096  0.608  0.642  1.0
  O  O26  1  0.143  0.115  0.153  1.0
  O  O27  1  0.646  0.611  0.644  1.0
[/CIF]
.