The material structure described by Li7Co5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(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 Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) 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(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Co site, Co(3) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form CoO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(6)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(5), two equivalent Li(2), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share corners with two equivalent O(4)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(2)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(2)Li4Co2 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(5)Li4Co2 octahedra, and edges with four equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(2), one Li(5), two equivalent Li(1), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share corners with two equivalent O(4)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, and edges with three equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with three equivalent O(6)Li3Co3 octahedra, and edges with three equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Co(3), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(4)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(2)Li4Co2 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(2)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(5)Li4Co2 octahedra, and edges with four equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Co5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.775
_cell_length_c   7.751
_cell_angle_alpha   79.064
_cell_angle_beta   78.124
_cell_angle_gamma   73.230
_symmetry_Int_Tables_number   1
_cell_volume   211.393
_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
  Li  Li0  1  0.498  0.669  0.838  1.0
  Li  Li1  1  0.500  0.839  0.161  1.0
  Li  Li2  1  0.502  0.331  0.162  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  Li  Li5  1  0.500  0.161  0.839  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.000  0.834  0.672  1.0
  Co  Co8  1  0.000  0.500  0.000  1.0
  Co  Co9  1  1.000  0.166  0.328  1.0
  Co  Co10  1  0.998  0.328  0.675  1.0
  Co  Co11  1  0.002  0.672  0.325  1.0
  O  O12  1  0.779  0.656  0.584  1.0
  O  O13  1  0.776  0.808  0.915  1.0
  O  O14  1  0.781  0.347  0.915  1.0
  O  O15  1  0.773  0.499  0.232  1.0
  O  O16  1  0.769  0.991  0.262  1.0
  O  O17  1  0.764  0.165  0.582  1.0
  O  O18  1  0.219  0.653  0.085  1.0
  O  O19  1  0.236  0.835  0.418  1.0
  O  O20  1  0.221  0.344  0.416  1.0
  O  O21  1  0.227  0.501  0.768  1.0
  O  O22  1  0.231  0.009  0.738  1.0
  O  O23  1  0.224  0.192  0.085  1.0
[/CIF]
.
The material structure described by Li7Co5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(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 Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) 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(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Co site, Co(3) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form CoO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(6)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(5), two equivalent Li(2), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share corners with two equivalent O(4)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(2)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(2)Li4Co2 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(5)Li4Co2 octahedra, and edges with four equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(2), one Li(5), two equivalent Li(1), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share corners with two equivalent O(4)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, and edges with three equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with three equivalent O(6)Li3Co3 octahedra, and edges with three equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Co(3), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(4)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(2)Li4Co2 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(2)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(5)Li4Co2 octahedra, and edges with four equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Co5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.775
_cell_length_c   7.751
_cell_angle_alpha   79.064
_cell_angle_beta   78.124
_cell_angle_gamma   73.230
_symmetry_Int_Tables_number   1
_cell_volume   211.393
_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
  Li  Li0  1  0.498  0.669  0.838  1.0
  Li  Li1  1  0.500  0.839  0.161  1.0
  Li  Li2  1  0.502  0.331  0.162  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  Li  Li5  1  0.500  0.161  0.839  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.000  0.834  0.672  1.0
  Co  Co8  1  0.000  0.500  0.000  1.0
  Co  Co9  1  1.000  0.166  0.328  1.0
  Co  Co10  1  0.998  0.328  0.675  1.0
  Co  Co11  1  0.002  0.672  0.325  1.0
  O  O12  1  0.779  0.656  0.584  1.0
  O  O13  1  0.776  0.808  0.915  1.0
  O  O14  1  0.781  0.347  0.915  1.0
  O  O15  1  0.773  0.499  0.232  1.0
  O  O16  1  0.769  0.991  0.262  1.0
  O  O17  1  0.764  0.165  0.582  1.0
  O  O18  1  0.219  0.653  0.085  1.0
  O  O19  1  0.236  0.835  0.418  1.0
  O  O20  1  0.221  0.344  0.416  1.0
  O  O21  1  0.227  0.501  0.768  1.0
  O  O22  1  0.231  0.009  0.738  1.0
  O  O23  1  0.224  0.192  0.085  1.0
[/CIF]
.