The material described by Li9Co7O16 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with six equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(3)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, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Li site, Li(3) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third Co site, Co(3) is bonded to six equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with six equivalent O(1)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to three equivalent Li(2) and three equivalent Co(2) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, and edges with nine equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Co(3), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li4Co2 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, and edges with six equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to three equivalent Li(2) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(3)Li3Co3 octahedra, and edges with nine equivalent O(1)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Co7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.160
_cell_length_b   10.160
_cell_length_c   10.160
_cell_angle_alpha   32.953
_cell_angle_beta   32.953
_cell_angle_gamma   32.953
_symmetry_Int_Tables_number   1
_cell_volume   276.165
_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  0.251  0.251  0.251  1.0
  Li  Li1  1  0.246  0.756  0.246  1.0
  Li  Li2  1  0.244  0.754  0.754  1.0
  Li  Li3  1  0.246  0.246  0.756  1.0
  Li  Li4  1  0.754  0.754  0.244  1.0
  Li  Li5  1  0.756  0.246  0.246  1.0
  Li  Li6  1  0.754  0.244  0.754  1.0
  Li  Li7  1  0.749  0.749  0.749  1.0
  Li  Li8  1  0.000  0.000  0.000  1.0
  Co  Co9  1  0.500  0.500  0.000  1.0
  Co  Co10  1  0.500  0.000  0.500  1.0
  Co  Co11  1  0.500  0.000  0.000  1.0
  Co  Co12  1  0.500  0.500  0.500  1.0
  Co  Co13  1  0.000  0.500  0.000  1.0
  Co  Co14  1  0.000  0.500  0.500  1.0
  Co  Co15  1  0.000  0.000  0.500  1.0
  O  O16  1  0.143  0.609  0.143  1.0
  O  O17  1  0.126  0.126  0.126  1.0
  O  O18  1  0.143  0.143  0.609  1.0
  O  O19  1  0.125  0.628  0.628  1.0
  O  O20  1  0.609  0.143  0.143  1.0
  O  O21  1  0.628  0.628  0.125  1.0
  O  O22  1  0.631  0.631  0.631  1.0
  O  O23  1  0.628  0.125  0.628  1.0
  O  O24  1  0.372  0.875  0.372  1.0
  O  O25  1  0.369  0.369  0.369  1.0
  O  O26  1  0.372  0.372  0.875  1.0
  O  O27  1  0.391  0.857  0.857  1.0
  O  O28  1  0.875  0.372  0.372  1.0
  O  O29  1  0.857  0.857  0.391  1.0
  O  O30  1  0.874  0.874  0.874  1.0
  O  O31  1  0.857  0.391  0.857  1.0
[/CIF]
.
The material described by Li9Co7O16 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with six equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(3)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, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Li site, Li(3) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third Co site, Co(3) is bonded to six equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with six equivalent O(1)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to three equivalent Li(2) and three equivalent Co(2) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, and edges with nine equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Co(3), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li4Co2 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, and edges with six equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to three equivalent Li(2) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(3)Li3Co3 octahedra, and edges with nine equivalent O(1)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Co7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.160
_cell_length_b   10.160
_cell_length_c   10.160
_cell_angle_alpha   32.953
_cell_angle_beta   32.953
_cell_angle_gamma   32.953
_symmetry_Int_Tables_number   1
_cell_volume   276.165
_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  0.251  0.251  0.251  1.0
  Li  Li1  1  0.246  0.756  0.246  1.0
  Li  Li2  1  0.244  0.754  0.754  1.0
  Li  Li3  1  0.246  0.246  0.756  1.0
  Li  Li4  1  0.754  0.754  0.244  1.0
  Li  Li5  1  0.756  0.246  0.246  1.0
  Li  Li6  1  0.754  0.244  0.754  1.0
  Li  Li7  1  0.749  0.749  0.749  1.0
  Li  Li8  1  0.000  0.000  0.000  1.0
  Co  Co9  1  0.500  0.500  0.000  1.0
  Co  Co10  1  0.500  0.000  0.500  1.0
  Co  Co11  1  0.500  0.000  0.000  1.0
  Co  Co12  1  0.500  0.500  0.500  1.0
  Co  Co13  1  0.000  0.500  0.000  1.0
  Co  Co14  1  0.000  0.500  0.500  1.0
  Co  Co15  1  0.000  0.000  0.500  1.0
  O  O16  1  0.143  0.609  0.143  1.0
  O  O17  1  0.126  0.126  0.126  1.0
  O  O18  1  0.143  0.143  0.609  1.0
  O  O19  1  0.125  0.628  0.628  1.0
  O  O20  1  0.609  0.143  0.143  1.0
  O  O21  1  0.628  0.628  0.125  1.0
  O  O22  1  0.631  0.631  0.631  1.0
  O  O23  1  0.628  0.125  0.628  1.0
  O  O24  1  0.372  0.875  0.372  1.0
  O  O25  1  0.369  0.369  0.369  1.0
  O  O26  1  0.372  0.372  0.875  1.0
  O  O27  1  0.391  0.857  0.857  1.0
  O  O28  1  0.875  0.372  0.372  1.0
  O  O29  1  0.857  0.857  0.391  1.0
  O  O30  1  0.874  0.874  0.874  1.0
  O  O31  1  0.857  0.391  0.857  1.0
[/CIF]
.