The material structure described by Li2Cr3CoO8 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(11), one O(13), one O(2), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(15), one O(16), one O(3), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(15), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(15), one O(2), one O(3), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Cr site, Cr(2) is bonded to one O(10), one O(13), one O(14), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the third Cr site, Cr(3) is bonded to one O(10), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(13), one O(14), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(13), one O(15), one O(16), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the sixth Cr site, Cr(6) is bonded to one O(14), one O(15), one O(16), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)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 Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner 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 Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(16), one O(3), one O(6), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(1), one Cr(5), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(3), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(12)Li2Cr2Co square pyramid,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with two equivalent O(11)Li2Cr2Co square pyramids,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(12)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid, and  an edgeedge with one O(5)Li2Cr2Co square pyramid. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(6), and one Co(2) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with two equivalent O(12)Li2Cr2Co square pyramids,  an edgeedge with one O(12)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid, and  an edgeedge with one O(4)Li2Cr3 square pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Cr(2), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(12)Li2Cr2Co square pyramid,  a cornercorner with one O(13)Li2Cr3 square pyramid, corners with two equivalent O(15)Li2Cr3 square pyramids,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(13)Li2Cr3 square pyramid, and  an edgeedge with one O(15)Li2Cr3 square pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Cr(2), one Cr(4), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid,  an edgeedge with one O(4)Li2Cr3 square pyramid, and edges with two equivalent O(13)Li2Cr3 square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(3), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(2), one Cr(3), and one Cr(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(4), one Cr(5), and one Cr(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Co(1), and one Co(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(2), one Cr(3), and one Co(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Cr(3), one Cr(4), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid, corners with two equivalent O(2)Li2Cr2Co square pyramids,  an edgeedge with one O(12)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid, and  an edgeedge with one O(13)Li2Cr3 square pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(3), and one Co(2) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(2)Li2Cr2Co square pyramid,  a cornercorner with one O(4)Li2Cr3 square pyramid, corners with two equivalent O(3)Li2Cr2Co square pyramids,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid, and  an edgeedge with one O(15)Li2Cr3 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(4), one Cr(2), one Cr(4), and one Cr(5) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(2)Li2Cr2Co square pyramid,  a cornercorner with one O(4)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2Cr3 square pyramid, and edges with two equivalent O(5)Li2Cr2Co square pyramids. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(2), one Cr(4), and one Cr(6) atom. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Cr(1), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(2)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid, corners with two equivalent O(4)Li2Cr3 square pyramids,  an edgeedge with one O(12)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(13)Li2Cr3 square pyramid, and  an edgeedge with one O(4)Li2Cr3 square pyramid. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(5), one Cr(6), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.019
_cell_length_b   5.730
_cell_length_c   10.289
_cell_angle_alpha   74.269
_cell_angle_beta   77.225
_cell_angle_gamma   74.211
_symmetry_Int_Tables_number   1
_cell_volume   270.551
_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  0.006  0.233  0.496  1.0
  Li  Li1  1  0.001  0.621  0.251  1.0
  Li  Li2  1  0.997  0.994  0.008  1.0
  Li  Li3  1  0.994  0.403  0.747  1.0
  Cr  Cr4  1  0.500  0.314  0.127  1.0
  Cr  Cr5  1  0.512  0.061  0.626  1.0
  Cr  Cr6  1  0.505  0.936  0.371  1.0
  Cr  Cr7  1  0.489  0.570  0.620  1.0
  Cr  Cr8  1  0.501  0.182  0.875  1.0
  Cr  Cr9  1  0.496  0.686  0.879  1.0
  Co  Co10  1  0.497  0.440  0.376  1.0
  Co  Co11  1  0.500  0.811  0.126  1.0
  O  O12  1  0.300  0.138  0.056  1.0
  O  O13  1  0.288  0.277  0.310  1.0
  O  O14  1  0.283  0.652  0.064  1.0
  O  O15  1  0.283  0.023  0.812  1.0
  O  O16  1  0.282  0.391  0.560  1.0
  O  O17  1  0.297  0.765  0.306  1.0
  O  O18  1  0.297  0.904  0.553  1.0
  O  O19  1  0.296  0.515  0.805  1.0
  O  O20  1  0.700  0.486  0.197  1.0
  O  O21  1  0.703  0.113  0.443  1.0
  O  O22  1  0.715  0.598  0.437  1.0
  O  O23  1  0.716  0.974  0.188  1.0
  O  O24  1  0.720  0.238  0.687  1.0
  O  O25  1  0.702  0.724  0.696  1.0
  O  O26  1  0.714  0.349  0.941  1.0
  O  O27  1  0.706  0.852  0.946  1.0
[/CIF]
.
The material structure described by Li2Cr3CoO8 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(11), one O(13), one O(2), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(15), one O(16), one O(3), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(15), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(15), one O(2), one O(3), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Cr site, Cr(2) is bonded to one O(10), one O(13), one O(14), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the third Cr site, Cr(3) is bonded to one O(10), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(13), one O(14), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(13), one O(15), one O(16), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the sixth Cr site, Cr(6) is bonded to one O(14), one O(15), one O(16), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)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 Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner 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 Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(16), one O(3), one O(6), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(1), one Cr(5), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(3), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(12)Li2Cr2Co square pyramid,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with two equivalent O(11)Li2Cr2Co square pyramids,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(12)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid, and  an edgeedge with one O(5)Li2Cr2Co square pyramid. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(6), and one Co(2) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with two equivalent O(12)Li2Cr2Co square pyramids,  an edgeedge with one O(12)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid, and  an edgeedge with one O(4)Li2Cr3 square pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Cr(2), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(12)Li2Cr2Co square pyramid,  a cornercorner with one O(13)Li2Cr3 square pyramid, corners with two equivalent O(15)Li2Cr3 square pyramids,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(13)Li2Cr3 square pyramid, and  an edgeedge with one O(15)Li2Cr3 square pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Cr(2), one Cr(4), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid,  an edgeedge with one O(4)Li2Cr3 square pyramid, and edges with two equivalent O(13)Li2Cr3 square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(3), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(2), one Cr(3), and one Cr(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(4), one Cr(5), and one Cr(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Co(1), and one Co(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(2), one Cr(3), and one Co(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Cr(3), one Cr(4), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid, corners with two equivalent O(2)Li2Cr2Co square pyramids,  an edgeedge with one O(12)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid, and  an edgeedge with one O(13)Li2Cr3 square pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(3), and one Co(2) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(2)Li2Cr2Co square pyramid,  a cornercorner with one O(4)Li2Cr3 square pyramid, corners with two equivalent O(3)Li2Cr2Co square pyramids,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid, and  an edgeedge with one O(15)Li2Cr3 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(4), one Cr(2), one Cr(4), and one Cr(5) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(2)Li2Cr2Co square pyramid,  a cornercorner with one O(4)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2Cr3 square pyramid, and edges with two equivalent O(5)Li2Cr2Co square pyramids. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(2), one Cr(4), and one Cr(6) atom. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Cr(1), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(2)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid, corners with two equivalent O(4)Li2Cr3 square pyramids,  an edgeedge with one O(12)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(13)Li2Cr3 square pyramid, and  an edgeedge with one O(4)Li2Cr3 square pyramid. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(5), one Cr(6), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.019
_cell_length_b   5.730
_cell_length_c   10.289
_cell_angle_alpha   74.269
_cell_angle_beta   77.225
_cell_angle_gamma   74.211
_symmetry_Int_Tables_number   1
_cell_volume   270.551
_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  0.006  0.233  0.496  1.0
  Li  Li1  1  0.001  0.621  0.251  1.0
  Li  Li2  1  0.997  0.994  0.008  1.0
  Li  Li3  1  0.994  0.403  0.747  1.0
  Cr  Cr4  1  0.500  0.314  0.127  1.0
  Cr  Cr5  1  0.512  0.061  0.626  1.0
  Cr  Cr6  1  0.505  0.936  0.371  1.0
  Cr  Cr7  1  0.489  0.570  0.620  1.0
  Cr  Cr8  1  0.501  0.182  0.875  1.0
  Cr  Cr9  1  0.496  0.686  0.879  1.0
  Co  Co10  1  0.497  0.440  0.376  1.0
  Co  Co11  1  0.500  0.811  0.126  1.0
  O  O12  1  0.300  0.138  0.056  1.0
  O  O13  1  0.288  0.277  0.310  1.0
  O  O14  1  0.283  0.652  0.064  1.0
  O  O15  1  0.283  0.023  0.812  1.0
  O  O16  1  0.282  0.391  0.560  1.0
  O  O17  1  0.297  0.765  0.306  1.0
  O  O18  1  0.297  0.904  0.553  1.0
  O  O19  1  0.296  0.515  0.805  1.0
  O  O20  1  0.700  0.486  0.197  1.0
  O  O21  1  0.703  0.113  0.443  1.0
  O  O22  1  0.715  0.598  0.437  1.0
  O  O23  1  0.716  0.974  0.188  1.0
  O  O24  1  0.720  0.238  0.687  1.0
  O  O25  1  0.702  0.724  0.696  1.0
  O  O26  1  0.714  0.349  0.941  1.0
  O  O27  1  0.706  0.852  0.946  1.0
[/CIF]
.