data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   20.84
_cell_angle_alpha   97.72
_cell_angle_beta   97.72
_cell_angle_gamma   32.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Mn2Co5O16
_chemical_formula_sum   'Li9 Mn2 Co5 O16'
_cell_volume   285.18
_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  0.94  0.0  0.86  1.0
  Li  Li1  1  0.68  0.0  0.4  1.0
  Li  Li2  1  0.09  0.0  0.24  1.0
  Li  Li3  1  0.83  0.0  0.78  1.0
  Li  Li4  1  0.38  0.0  0.46  1.0
  Li  Li5  1  0.15  0.0  0.03  1.0
  Li  Li6  1  0.62  0.0  0.61  1.0
  Li  Li7  1  0.39  0.0  0.18  1.0
  Li  Li8  1  0.0  0.0  0.0  1.0
  Mn  Mn9  1  0.82  0.0  0.51  1.0
  Mn  Mn10  1  0.95  0.0  0.12  1.0
  Co  Co11  1  0.35  0.0  0.2  1.0
  Co  Co12  1  0.42  0.0  0.43  1.0
  Co  Co13  1  0.76  0.0  0.77  1.0
  Co  Co14  1  0.54  0.0  0.32  1.0
  Co  Co15  1  0.01  0.0  0.87  1.0
  O  O16  1  0.87  0.0  0.92  1.0
  O  O17  1  0.63  0.0  0.54  1.0
  O  O18  1  0.16  0.0  0.79  1.0
  O  O19  1  0.75  0.0  0.99  1.0
  O  O20  1  0.29  0.0  0.47  1.0
  O  O21  1  0.1  0.0  0.21  1.0
  O  O22  1  0.56  0.0  0.76  1.0
  O  O23  1  0.35  0.0  0.32  1.0
  O  O24  1  0.02  0.0  0.64  1.0
  O  O25  1  0.61  0.0  0.85  1.0
  O  O26  1  0.14  0.0  0.1  1.0
  O  O27  1  0.9  0.0  0.72  1.0
  O  O28  1  0.41  0.0  0.31  1.0
  O  O29  1  0.21  0.0  0.88  1.0
  O  O30  1  0.67  0.0  0.43  1.0
  O  O31  1  0.48  0.0  0.17  1.0

data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.05
_cell_length_c   20.78
_cell_angle_alpha   83.79
_cell_angle_beta   86.06
_cell_angle_gamma   73.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Mn2Co5O16
_chemical_formula_sum   'Li9 Mn2 Co5 O16'
_cell_volume   285.18
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.02  0.61  1.0
  Li  Li2  1  0.0  0.05  0.78  1.0
  Li  Li3  1  0.0  0.08  0.86  1.0
  Li  Li4  1  0.0  0.11  0.03  1.0
  Li  Li5  1  0.0  0.21  0.18  1.0
  Li  Li6  1  0.0  0.28  0.4  1.0
  Li  Li7  1  0.0  0.85  0.24  1.0
  Li  Li8  1  0.0  0.92  0.46  1.0
  Mn  Mn9  1  0.0  0.31  0.51  1.0
  Mn  Mn10  1  0.0  0.82  0.12  1.0
  Co  Co11  1  0.0  0.14  0.2  1.0
  Co  Co12  1  0.0  0.14  0.87  1.0
  Co  Co13  1  0.0  0.22  0.32  1.0
  Co  Co14  1  0.0  0.99  0.77  1.0
  Co  Co15  1  0.0  0.99  0.43  1.0
  O  O16  1  0.0  0.03  0.32  1.0
  O  O17  1  0.0  0.05  0.1  1.0
  O  O18  1  0.0  0.08  0.54  1.0
  O  O19  1  0.0  0.1  0.31  1.0
  O  O20  1  0.0  0.17  0.72  1.0
  O  O21  1  0.0  0.24  0.43  1.0
  O  O22  1  0.0  0.32  0.17  1.0
  O  O23  1  0.0  0.33  0.88  1.0
  O  O24  1  0.0  0.37  0.79  1.0
  O  O25  1  0.0  0.38  0.64  1.0
  O  O26  1  0.0  0.75  0.99  1.0
  O  O27  1  0.0  0.76  0.85  1.0
  O  O28  1  0.0  0.8  0.76  1.0
  O  O29  1  0.0  0.81  0.47  1.0
  O  O30  1  0.0  0.89  0.21  1.0
  O  O31  1  0.0  0.95  0.92  1.0

Li Li Li Li Li Li Li Li Li Mn Mn Co Co Co Co Co O O O O O O O O O O O O O O O O
Li Li Li Li Li Li Li Li Li Mn Mn Co Co Co Co Co O O O O O O O O O O O O O O O O 0 15 + o o 0 16 o o o 0 18 + o o 0 25 o o o 1 30 o o o 2 21 o o o 3 13 o o o 3 18 + o o 3 25 o o o 3 27 o o o 4 20 o o o 4 12 o o o 5 8 o o o 5 26 o o o 6 17 o o o 6 24 + o o 7 11 o o o 7 31 o o o 8 19 - o - 9 17 o o o 10 26 + o o 13 18 + o o 13 22 o o o 13 25 o o o 13 27 o o o 14 28 o o o 15 16 - o o 15 18 o o o 15 25 - o o 15 29 o o o 16 25 o o o 18 27 - o o 18 29 o o o 22 25 o o o 23 28 o o o 24 27 - o o 
Li2O2(LiCoO3)4(Li3MnCoO4)2(Li3MnCoO3)2(Lix0CoO2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one cobalt oxide hydrate molecule, one lithium hydroxide molecule, one Li3MnCoO3 cluster, one Li3MnCoO4 cluster, and two LiCoO3 clusters. In the Li3MnCoO3 cluster, there are three inequivalent Li sites. In the first Li site, Li(3) is bonded in a single-bond geometry to one O(6,15) atom. The Li(3)-O(6,15) bond length is 0.74 Å. In the second Li site, Li(6) is bonded in a distorted single-bond geometry to one O(11) atom. The Li(6)-O(11) bond length is 1.35 Å. In the third Li site, Li(8) is bonded in a 2-coordinate geometry to one Co(1), one O(11), and one O(16) atom. The Li(8)-Co(1) bond length is 0.65 Å. The Li(8)-O(11) bond length is 1.92 Å. The Li(8)-O(16) bond length is 0.55 Å. Mn(2) is bonded in a 1-coordinate geometry to one O(11) and one O(6,15) atom. The Mn(2)-O(11) bond length is 1.21 Å. The Mn(2)-O(6,15) bond length is 1.82 Å. Co(1) is bonded in a distorted bent 120 degrees geometry to one Li(8) and one O(6,15) atom. The Co(1)-O(6,15) bond length is 1.28 Å. There are three inequivalent O sites. In the first O site, O(6,15) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one Co(1) atom. In the second O site, O(11) is bonded in a 3-coordinate geometry to one Li(6), one Li(8), and one Mn(2) atom. In the third O site, O(16) is bonded in a single-bond geometry to one Li(8) atom. In the Li3MnCoO4 cluster, there are three inequivalent Li sites. In the first Li site, Li(2) is bonded in a single-bond geometry to one O(6,15) atom. The Li(2)-O(6,15) bond length is 0.74 Å. In the second Li site, Li(5) is bonded in a 2-coordinate geometry to one Co(2), one O(2), and one O(5) atom. The Li(5)-Co(2) bond length is 0.65 Å. The Li(5)-O(2) bond length is 1.92 Å. The Li(5)-O(5) bond length is 0.55 Å. In the third Li site, Li(7) is bonded in a distorted water-like geometry to one O(2) and one O(9) atom. The Li(7)-O(2) bond length is 1.35 Å. The Li(7)-O(9) bond length is 2.06 Å. Mn(1) is bonded in a 2-coordinate geometry to one O(2) and one O(6,15) atom. The Mn(1)-O(2) bond length is 1.21 Å. The Mn(1)-O(6,15) bond length is 1.82 Å. Co(2) is bonded in a distorted bent 120 degrees geometry to one Li(5) and one O(6,15) atom. The Co(2)-O(6,15) bond length is 1.28 Å. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Li(5), one Li(7), and one Mn(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Li(5) atom. In the third O site, O(6,15) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one Co(1) atom. In the fourth O site, O(9) is bonded in a distorted single-bond geometry to one Li(7) atom. In each LiCoO3 cluster, Li(1,4) is bonded in a distorted single-bond geometry to one Co(5), one O(1), and one O(10) atom. The Li(1,4)-Co(5) bond length is 0.35 Å. The Li(1,4)-O(1) bond length is 1.23 Å. The Li(1,4)-O(10) bond length is 1.68 Å. Co(5) is bonded in a distorted linear geometry to one Li(1,4) and one O(7,14) atom. The Co(5)-O(7,14) bond length is 0.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1,4) atom. In the second O site, O(7,14) is bonded in a single-bond geometry to one Co(3) atom. The O(7,14)-Co(3) bond length is 0.99 Å. In the third O site, O(10) is bonded in a distorted single-bond geometry to one Li(1,4) atom.