The compound described by Li4Co5O12 crystallizes in the monoclinic P2_1 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(12), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Co(4)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  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, and  an edgeedge with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  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 edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  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 edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-16°. In the fourth Co site, Co(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the fifth Co site, Co(5) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(5)Li3Co2 square pyramid, corners with two equivalent O(6)Li3Co2 square pyramids,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  an edgeedge with one O(10)Li3Co2 square pyramid, edges with two equivalent O(3)Li2Co3 square pyramids, edges with two equivalent O(8)Li2Co3 square pyramids, and  an edgeedge with one O(2)LiCo3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(2), one Co(1), one Co(2), and one Co(3) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(5)Li3Co2 square pyramid,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid, and edges with two equivalent O(3)Li2Co3 square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(10)Li3Co2 square pyramid,  a cornercorner with one O(6)Li3Co2 square pyramid, corners with two equivalent O(8)Li2Co3 square pyramids,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(5)Li3Co2 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, and edges with two equivalent O(2)LiCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Co(4), and one Co(5) atom to form OLi3Co2 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid, corners with two equivalent O(10)Li3Co2 square pyramids,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(10)Li3Co2 square pyramid, and edges with two equivalent O(6)Li3Co2 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Co(4), and one Co(5) atom to form OLi3Co2 square pyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(10)Li3Co2 square pyramid, corners with two equivalent O(1)Li2Co3 square pyramids,  an edgeedge with one O(8)Li2Co3 square pyramid, edges with two equivalent O(10)Li3Co2 square pyramids, and edges with two equivalent O(5)Li3Co2 square pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(3) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(5)Li3Co2 square pyramid, corners with two equivalent O(3)Li2Co3 square pyramids, corners with two equivalent O(10)Li3Co2 square pyramids,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(6)Li3Co2 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, and  an edgeedge with one O(2)LiCo3 trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(1), one Co(2), and one Co(3) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Li(4), one Co(4), and one Co(5) atom to form OLi3Co2 square pyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(6)Li3Co2 square pyramid, corners with two equivalent O(8)Li2Co3 square pyramids, corners with two equivalent O(5)Li3Co2 square pyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(5)Li3Co2 square pyramid, and edges with two equivalent O(6)Li3Co2 square pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Co(4), and one Co(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Co(4), and one Co(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.426
_cell_length_b   4.913
_cell_length_c   9.967
_cell_angle_alpha   80.536
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   406.995
_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  0.247  0.259  0.999  1.0
  Li  Li1  1  0.395  0.012  0.235  1.0
  Li  Li2  1  0.746  0.995  0.234  1.0
  Li  Li3  1  0.246  0.005  0.766  1.0
  Li  Li4  1  0.895  0.988  0.765  1.0
  Li  Li5  1  0.747  0.741  0.001  1.0
  Li  Li6  1  0.922  0.507  0.236  1.0
  Li  Li7  1  0.422  0.493  0.764  1.0
  Co  Co8  1  0.416  0.248  0.497  1.0
  Co  Co9  1  0.082  0.252  0.498  1.0
  Co  Co10  1  0.747  0.251  0.501  1.0
  Co  Co11  1  0.924  0.245  0.997  1.0
  Co  Co12  1  0.585  0.254  0.999  1.0
  Co  Co13  1  0.916  0.752  0.503  1.0
  Co  Co14  1  0.582  0.748  0.502  1.0
  Co  Co15  1  0.247  0.749  0.499  1.0
  Co  Co16  1  0.424  0.755  0.003  1.0
  Co  Co17  1  0.085  0.746  0.001  1.0
  O  O18  1  0.910  0.120  0.400  1.0
  O  O19  1  0.251  0.110  0.400  1.0
  O  O20  1  0.582  0.110  0.400  1.0
  O  O21  1  0.760  0.150  0.899  1.0
  O  O22  1  0.082  0.890  0.600  1.0
  O  O23  1  0.751  0.890  0.600  1.0
  O  O24  1  0.410  0.880  0.600  1.0
  O  O25  1  0.071  0.098  0.889  1.0
  O  O26  1  0.436  0.109  0.893  1.0
  O  O27  1  0.936  0.891  0.107  1.0
  O  O28  1  0.571  0.902  0.111  1.0
  O  O29  1  0.260  0.850  0.101  1.0
  O  O30  1  0.414  0.616  0.402  1.0
  O  O31  1  0.754  0.622  0.400  1.0
  O  O32  1  0.080  0.618  0.403  1.0
  O  O33  1  0.258  0.647  0.894  1.0
  O  O34  1  0.580  0.382  0.597  1.0
  O  O35  1  0.254  0.378  0.600  1.0
  O  O36  1  0.914  0.384  0.598  1.0
  O  O37  1  0.567  0.612  0.897  1.0
  O  O38  1  0.938  0.612  0.898  1.0
  O  O39  1  0.438  0.388  0.102  1.0
  O  O40  1  0.067  0.388  0.103  1.0
  O  O41  1  0.758  0.353  0.106  1.0
[/CIF]
.
The compound described by Li4Co5O12 crystallizes in the monoclinic P2_1 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(12), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Co(4)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  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, and  an edgeedge with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  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 edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  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 edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-16°. In the fourth Co site, Co(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the fifth Co site, Co(5) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(5)Li3Co2 square pyramid, corners with two equivalent O(6)Li3Co2 square pyramids,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  an edgeedge with one O(10)Li3Co2 square pyramid, edges with two equivalent O(3)Li2Co3 square pyramids, edges with two equivalent O(8)Li2Co3 square pyramids, and  an edgeedge with one O(2)LiCo3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(2), one Co(1), one Co(2), and one Co(3) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(5)Li3Co2 square pyramid,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid, and edges with two equivalent O(3)Li2Co3 square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(10)Li3Co2 square pyramid,  a cornercorner with one O(6)Li3Co2 square pyramid, corners with two equivalent O(8)Li2Co3 square pyramids,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(5)Li3Co2 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, and edges with two equivalent O(2)LiCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Co(4), and one Co(5) atom to form OLi3Co2 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid, corners with two equivalent O(10)Li3Co2 square pyramids,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(10)Li3Co2 square pyramid, and edges with two equivalent O(6)Li3Co2 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Co(4), and one Co(5) atom to form OLi3Co2 square pyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(10)Li3Co2 square pyramid, corners with two equivalent O(1)Li2Co3 square pyramids,  an edgeedge with one O(8)Li2Co3 square pyramid, edges with two equivalent O(10)Li3Co2 square pyramids, and edges with two equivalent O(5)Li3Co2 square pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(3) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(5)Li3Co2 square pyramid, corners with two equivalent O(3)Li2Co3 square pyramids, corners with two equivalent O(10)Li3Co2 square pyramids,  a cornercorner with one O(2)LiCo3 trigonal pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(6)Li3Co2 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, and  an edgeedge with one O(2)LiCo3 trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(1), one Co(2), and one Co(3) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Li(4), one Co(4), and one Co(5) atom to form OLi3Co2 square pyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(6)Li3Co2 square pyramid, corners with two equivalent O(8)Li2Co3 square pyramids, corners with two equivalent O(5)Li3Co2 square pyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(5)Li3Co2 square pyramid, and edges with two equivalent O(6)Li3Co2 square pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Co(4), and one Co(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Co(4), and one Co(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.426
_cell_length_b   4.913
_cell_length_c   9.967
_cell_angle_alpha   80.536
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   406.995
_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  0.247  0.259  0.999  1.0
  Li  Li1  1  0.395  0.012  0.235  1.0
  Li  Li2  1  0.746  0.995  0.234  1.0
  Li  Li3  1  0.246  0.005  0.766  1.0
  Li  Li4  1  0.895  0.988  0.765  1.0
  Li  Li5  1  0.747  0.741  0.001  1.0
  Li  Li6  1  0.922  0.507  0.236  1.0
  Li  Li7  1  0.422  0.493  0.764  1.0
  Co  Co8  1  0.416  0.248  0.497  1.0
  Co  Co9  1  0.082  0.252  0.498  1.0
  Co  Co10  1  0.747  0.251  0.501  1.0
  Co  Co11  1  0.924  0.245  0.997  1.0
  Co  Co12  1  0.585  0.254  0.999  1.0
  Co  Co13  1  0.916  0.752  0.503  1.0
  Co  Co14  1  0.582  0.748  0.502  1.0
  Co  Co15  1  0.247  0.749  0.499  1.0
  Co  Co16  1  0.424  0.755  0.003  1.0
  Co  Co17  1  0.085  0.746  0.001  1.0
  O  O18  1  0.910  0.120  0.400  1.0
  O  O19  1  0.251  0.110  0.400  1.0
  O  O20  1  0.582  0.110  0.400  1.0
  O  O21  1  0.760  0.150  0.899  1.0
  O  O22  1  0.082  0.890  0.600  1.0
  O  O23  1  0.751  0.890  0.600  1.0
  O  O24  1  0.410  0.880  0.600  1.0
  O  O25  1  0.071  0.098  0.889  1.0
  O  O26  1  0.436  0.109  0.893  1.0
  O  O27  1  0.936  0.891  0.107  1.0
  O  O28  1  0.571  0.902  0.111  1.0
  O  O29  1  0.260  0.850  0.101  1.0
  O  O30  1  0.414  0.616  0.402  1.0
  O  O31  1  0.754  0.622  0.400  1.0
  O  O32  1  0.080  0.618  0.403  1.0
  O  O33  1  0.258  0.647  0.894  1.0
  O  O34  1  0.580  0.382  0.597  1.0
  O  O35  1  0.254  0.378  0.600  1.0
  O  O36  1  0.914  0.384  0.598  1.0
  O  O37  1  0.567  0.612  0.897  1.0
  O  O38  1  0.938  0.612  0.898  1.0
  O  O39  1  0.438  0.388  0.102  1.0
  O  O40  1  0.067  0.388  0.103  1.0
  O  O41  1  0.758  0.353  0.106  1.0
[/CIF]
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