The compound described by Li9Mn2Co5O16 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(4) and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. Mn(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(6) atom. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(8) atom. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent O(6) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(5), two equivalent Li(3), one Mn(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(5), two equivalent Li(2), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.482
_cell_length_b   6.516
_cell_length_c   7.840
_cell_angle_alpha   114.538
_cell_angle_beta   87.673
_cell_angle_gamma   107.920
_symmetry_Int_Tables_number   1
_cell_volume   285.145
_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  0.190  0.693  0.936  1.0
  Li  Li1  1  0.687  0.193  0.437  1.0
  Li  Li2  1  0.313  0.807  0.563  1.0
  Li  Li3  1  0.810  0.307  0.064  1.0
  Li  Li4  1  0.437  0.936  0.186  1.0
  Li  Li5  1  0.929  0.439  0.676  1.0
  Li  Li6  1  0.563  0.064  0.814  1.0
  Li  Li7  1  0.071  0.561  0.324  1.0
  Li  Li8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.251  0.245  0.255  1.0
  Mn  Mn10  1  0.749  0.755  0.745  1.0
  Co  Co11  1  0.377  0.374  0.867  1.0
  Co  Co12  1  0.876  0.875  0.375  1.0
  Co  Co13  1  0.000  0.000  0.000  1.0
  Co  Co14  1  0.623  0.626  0.133  1.0
  Co  Co15  1  0.124  0.125  0.625  1.0
  O  O16  1  0.343  0.575  0.210  1.0
  O  O17  1  0.851  0.081  0.716  1.0
  O  O18  1  0.483  0.717  0.838  1.0
  O  O19  1  0.977  0.205  0.339  1.0
  O  O20  1  0.623  0.838  0.487  1.0
  O  O21  1  0.113  0.319  0.991  1.0
  O  O22  1  0.733  0.968  0.087  1.0
  O  O23  1  0.215  0.439  0.611  1.0
  O  O24  1  0.023  0.795  0.661  1.0
  O  O25  1  0.517  0.283  0.162  1.0
  O  O26  1  0.149  0.919  0.284  1.0
  O  O27  1  0.657  0.425  0.790  1.0
  O  O28  1  0.267  0.032  0.913  1.0
  O  O29  1  0.785  0.561  0.389  1.0
  O  O30  1  0.377  0.162  0.513  1.0
  O  O31  1  0.887  0.681  0.009  1.0
[/CIF]
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The compound described by Li9Mn2Co5O16 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(4) and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. Mn(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(6) atom. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(8) atom. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent O(6) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(5), two equivalent Li(3), one Mn(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(5), two equivalent Li(2), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.482
_cell_length_b   6.516
_cell_length_c   7.840
_cell_angle_alpha   114.538
_cell_angle_beta   87.673
_cell_angle_gamma   107.920
_symmetry_Int_Tables_number   1
_cell_volume   285.145
_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  0.190  0.693  0.936  1.0
  Li  Li1  1  0.687  0.193  0.437  1.0
  Li  Li2  1  0.313  0.807  0.563  1.0
  Li  Li3  1  0.810  0.307  0.064  1.0
  Li  Li4  1  0.437  0.936  0.186  1.0
  Li  Li5  1  0.929  0.439  0.676  1.0
  Li  Li6  1  0.563  0.064  0.814  1.0
  Li  Li7  1  0.071  0.561  0.324  1.0
  Li  Li8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.251  0.245  0.255  1.0
  Mn  Mn10  1  0.749  0.755  0.745  1.0
  Co  Co11  1  0.377  0.374  0.867  1.0
  Co  Co12  1  0.876  0.875  0.375  1.0
  Co  Co13  1  0.000  0.000  0.000  1.0
  Co  Co14  1  0.623  0.626  0.133  1.0
  Co  Co15  1  0.124  0.125  0.625  1.0
  O  O16  1  0.343  0.575  0.210  1.0
  O  O17  1  0.851  0.081  0.716  1.0
  O  O18  1  0.483  0.717  0.838  1.0
  O  O19  1  0.977  0.205  0.339  1.0
  O  O20  1  0.623  0.838  0.487  1.0
  O  O21  1  0.113  0.319  0.991  1.0
  O  O22  1  0.733  0.968  0.087  1.0
  O  O23  1  0.215  0.439  0.611  1.0
  O  O24  1  0.023  0.795  0.661  1.0
  O  O25  1  0.517  0.283  0.162  1.0
  O  O26  1  0.149  0.919  0.284  1.0
  O  O27  1  0.657  0.425  0.790  1.0
  O  O28  1  0.267  0.032  0.913  1.0
  O  O29  1  0.785  0.561  0.389  1.0
  O  O30  1  0.377  0.162  0.513  1.0
  O  O31  1  0.887  0.681  0.009  1.0
[/CIF]
.