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 8-coordinate geometry to one Co(1), one Co(2), one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to one Li(5), one Mn(1), one O(1), one O(3), one O(7), one O(8), and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 8-coordinate geometry to one Mn(1), one Co(1), one O(1), one O(2), one O(5), one O(7), and two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a distorted square co-planar geometry to two equivalent Li(2), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. Mn(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(4), one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to two equivalent Li(3), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Co(2), one Co(3), and one O(8) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), two equivalent Li(2), one Mn(1), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(4), one Co(2), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Mn(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), one Co(2), one Co(3), and one O(3) atom. is represented by the CIF card [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   5.889
_cell_length_c   10.277
_cell_angle_alpha   104.201
_cell_angle_beta   95.296
_cell_angle_gamma   109.180
_symmetry_Int_Tables_number   1
_cell_volume   281.707
_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  0.623  0.934  0.876  1.0
  Li  Li1  1  0.377  0.066  0.124  1.0
  Li  Li2  1  0.125  0.194  0.381  1.0
  Li  Li3  1  0.881  0.320  0.619  1.0
  Li  Li4  1  0.625  0.442  0.874  1.0
  Li  Li5  1  0.375  0.558  0.126  1.0
  Li  Li6  1  0.119  0.680  0.381  1.0
  Li  Li7  1  0.875  0.806  0.619  1.0
  Li  Li8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.255  0.130  0.745  1.0
  Mn  Mn10  1  0.745  0.870  0.255  1.0
  Co  Co11  1  0.003  0.248  1.000  1.0
  Co  Co12  1  0.742  0.376  0.253  1.0
  Co  Co13  1  0.258  0.624  0.747  1.0
  Co  Co14  1  0.997  0.752  0.000  1.0
  Co  Co15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.951  0.793  0.821  1.0
  O  O17  1  0.703  0.926  0.067  1.0
  O  O18  1  0.475  0.028  0.310  1.0
  O  O19  1  0.186  0.152  0.575  1.0
  O  O20  1  0.977  0.281  0.813  1.0
  O  O21  1  0.709  0.423  0.069  1.0
  O  O22  1  0.452  0.551  0.307  1.0
  O  O23  1  0.210  0.679  0.572  1.0
  O  O24  1  0.297  0.074  0.933  1.0
  O  O25  1  0.049  0.207  0.179  1.0
  O  O26  1  0.790  0.321  0.428  1.0
  O  O27  1  0.548  0.449  0.693  1.0
  O  O28  1  0.291  0.577  0.931  1.0
  O  O29  1  0.023  0.719  0.187  1.0
  O  O30  1  0.814  0.848  0.425  1.0
  O  O31  1  0.525  0.972  0.690  1.0
[/CIF]
.
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 8-coordinate geometry to one Co(1), one Co(2), one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to one Li(5), one Mn(1), one O(1), one O(3), one O(7), one O(8), and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 8-coordinate geometry to one Mn(1), one Co(1), one O(1), one O(2), one O(5), one O(7), and two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a distorted square co-planar geometry to two equivalent Li(2), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. Mn(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(4), one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to two equivalent Li(3), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Co(2), one Co(3), and one O(8) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), two equivalent Li(2), one Mn(1), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(4), one Co(2), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Mn(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), one Co(2), one Co(3), and one O(3) atom. is represented by the CIF card [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   5.889
_cell_length_c   10.277
_cell_angle_alpha   104.201
_cell_angle_beta   95.296
_cell_angle_gamma   109.180
_symmetry_Int_Tables_number   1
_cell_volume   281.707
_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  0.623  0.934  0.876  1.0
  Li  Li1  1  0.377  0.066  0.124  1.0
  Li  Li2  1  0.125  0.194  0.381  1.0
  Li  Li3  1  0.881  0.320  0.619  1.0
  Li  Li4  1  0.625  0.442  0.874  1.0
  Li  Li5  1  0.375  0.558  0.126  1.0
  Li  Li6  1  0.119  0.680  0.381  1.0
  Li  Li7  1  0.875  0.806  0.619  1.0
  Li  Li8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.255  0.130  0.745  1.0
  Mn  Mn10  1  0.745  0.870  0.255  1.0
  Co  Co11  1  0.003  0.248  1.000  1.0
  Co  Co12  1  0.742  0.376  0.253  1.0
  Co  Co13  1  0.258  0.624  0.747  1.0
  Co  Co14  1  0.997  0.752  0.000  1.0
  Co  Co15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.951  0.793  0.821  1.0
  O  O17  1  0.703  0.926  0.067  1.0
  O  O18  1  0.475  0.028  0.310  1.0
  O  O19  1  0.186  0.152  0.575  1.0
  O  O20  1  0.977  0.281  0.813  1.0
  O  O21  1  0.709  0.423  0.069  1.0
  O  O22  1  0.452  0.551  0.307  1.0
  O  O23  1  0.210  0.679  0.572  1.0
  O  O24  1  0.297  0.074  0.933  1.0
  O  O25  1  0.049  0.207  0.179  1.0
  O  O26  1  0.790  0.321  0.428  1.0
  O  O27  1  0.548  0.449  0.693  1.0
  O  O28  1  0.291  0.577  0.931  1.0
  O  O29  1  0.023  0.719  0.187  1.0
  O  O30  1  0.814  0.848  0.425  1.0
  O  O31  1  0.525  0.972  0.690  1.0
[/CIF]
.