The material described by Li2CrCo3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 11-12°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the fourth Li site, Li(4) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the second Cr site, Cr(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 11-14°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fourth Co site, Co(4) 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 CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(3), one Cr(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(1), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Cr(1), one Co(2), and one Co(3) atom to form a mixture of edge and corner-sharing OLi2CrCo2 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Cr(2), one Co(1), and one Co(3) atom to form a mixture of edge and corner-sharing OLi2CrCo2 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cr(1), one Co(2), and one Co(4) atom to form a mixture of edge and corner-sharing OLi2CrCo2 square pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Cr(2), one Co(1), and one Co(4) atom to form a mixture of edge and corner-sharing OLi2CrCo2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.756
_cell_length_b   5.759
_cell_length_c   5.905
_cell_angle_alpha   118.850
_cell_angle_beta   90.420
_cell_angle_gamma   119.785
_symmetry_Int_Tables_number   1
_cell_volume   140.722
_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  0.000  1.0
  Co  Co1  1  0.500  0.000  0.000  1.0
  Co  Co2  1  1.000  0.500  1.000  1.0
  Cr  Cr3  1  1.000  1.000  1.000  1.0
  Li  Li4  1  0.000  0.500  0.500  1.0
  Li  Li5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.739  0.460  0.199  1.0
  O  O7  1  0.262  0.540  0.801  1.0
  O  O8  1  0.243  0.958  0.202  1.0
  O  O9  1  0.757  0.042  0.798  1.0
  O  O10  1  0.273  0.020  0.789  1.0
  O  O11  1  0.769  0.516  0.790  1.0
  O  O12  1  0.231  0.484  0.210  1.0
  O  O13  1  0.727  0.980  0.211  1.0
[/CIF]
.
The material described by Li2CrCo3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 11-12°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the fourth Li site, Li(4) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the second Cr site, Cr(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 11-14°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fourth Co site, Co(4) 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 CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(3), one Cr(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(1), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Cr(1), one Co(2), and one Co(3) atom to form a mixture of edge and corner-sharing OLi2CrCo2 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Cr(2), one Co(1), and one Co(3) atom to form a mixture of edge and corner-sharing OLi2CrCo2 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cr(1), one Co(2), and one Co(4) atom to form a mixture of edge and corner-sharing OLi2CrCo2 square pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Cr(2), one Co(1), and one Co(4) atom to form a mixture of edge and corner-sharing OLi2CrCo2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.756
_cell_length_b   5.759
_cell_length_c   5.905
_cell_angle_alpha   118.850
_cell_angle_beta   90.420
_cell_angle_gamma   119.785
_symmetry_Int_Tables_number   1
_cell_volume   140.722
_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  0.000  1.0
  Co  Co1  1  0.500  0.000  0.000  1.0
  Co  Co2  1  1.000  0.500  1.000  1.0
  Cr  Cr3  1  1.000  1.000  1.000  1.0
  Li  Li4  1  0.000  0.500  0.500  1.0
  Li  Li5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.739  0.460  0.199  1.0
  O  O7  1  0.262  0.540  0.801  1.0
  O  O8  1  0.243  0.958  0.202  1.0
  O  O9  1  0.757  0.042  0.798  1.0
  O  O10  1  0.273  0.020  0.789  1.0
  O  O11  1  0.769  0.516  0.790  1.0
  O  O12  1  0.231  0.484  0.210  1.0
  O  O13  1  0.727  0.980  0.211  1.0
[/CIF]
.