The crystal structure 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 Mn(1), one Co(3), 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 6-coordinate geometry to one Co(2), one O(4), one O(5), one O(7), and two equivalent O(8) atoms. 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 4-coordinate geometry to two equivalent O(3), two equivalent O(4), 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), and one O(5) 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(2), two equivalent O(4), two equivalent O(7), 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 3-coordinate geometry to one Li(1), one Li(2), one Li(5), one Mn(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 4-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 7-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(1), one Co(1), one Co(2), and one O(6) 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), two equivalent Co(1), and one O(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), one Co(2), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(2), one Li(5), two equivalent Li(3), one Co(2), and one Co(3) atom. is represented by the CIF card [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.921
_cell_length_c   10.240
_cell_angle_alpha   103.845
_cell_angle_beta   95.591
_cell_angle_gamma   109.561
_symmetry_Int_Tables_number   1
_cell_volume   282.578
_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  0.935  0.875  1.0
  Li  Li1  1  0.377  0.065  0.125  1.0
  Li  Li2  1  0.114  0.190  0.382  1.0
  Li  Li3  1  0.877  0.314  0.617  1.0
  Li  Li4  1  0.625  0.443  0.875  1.0
  Li  Li5  1  0.375  0.557  0.125  1.0
  Li  Li6  1  0.123  0.686  0.383  1.0
  Li  Li7  1  0.886  0.810  0.618  1.0
  Li  Li8  1  0.500  0.000  0.500  1.0
  Mn  Mn9  1  0.255  0.121  0.747  1.0
  Mn  Mn10  1  0.745  0.879  0.253  1.0
  Co  Co11  1  0.003  0.249  1.000  1.0
  Co  Co12  1  0.748  0.374  0.253  1.0
  Co  Co13  1  0.500  0.500  0.500  1.0
  Co  Co14  1  0.252  0.626  0.747  1.0
  Co  Co15  1  0.997  0.751  0.000  1.0
  O  O16  1  0.947  0.796  0.819  1.0
  O  O17  1  0.703  0.922  0.067  1.0
  O  O18  1  0.482  0.034  0.302  1.0
  O  O19  1  0.199  0.173  0.570  1.0
  O  O20  1  0.979  0.279  0.814  1.0
  O  O21  1  0.709  0.424  0.067  1.0
  O  O22  1  0.447  0.551  0.318  1.0
  O  O23  1  0.197  0.653  0.576  1.0
  O  O24  1  0.297  0.078  0.933  1.0
  O  O25  1  0.053  0.204  0.181  1.0
  O  O26  1  0.803  0.347  0.424  1.0
  O  O27  1  0.553  0.449  0.682  1.0
  O  O28  1  0.291  0.576  0.933  1.0
  O  O29  1  0.021  0.721  0.186  1.0
  O  O30  1  0.801  0.827  0.430  1.0
  O  O31  1  0.518  0.966  0.698  1.0
[/CIF]
.
The crystal structure 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 Mn(1), one Co(3), 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 6-coordinate geometry to one Co(2), one O(4), one O(5), one O(7), and two equivalent O(8) atoms. 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 4-coordinate geometry to two equivalent O(3), two equivalent O(4), 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), and one O(5) 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(2), two equivalent O(4), two equivalent O(7), 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 3-coordinate geometry to one Li(1), one Li(2), one Li(5), one Mn(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 4-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 7-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(1), one Co(1), one Co(2), and one O(6) 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), two equivalent Co(1), and one O(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), one Co(2), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(2), one Li(5), two equivalent Li(3), one Co(2), and one Co(3) atom. is represented by the CIF card [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.921
_cell_length_c   10.240
_cell_angle_alpha   103.845
_cell_angle_beta   95.591
_cell_angle_gamma   109.561
_symmetry_Int_Tables_number   1
_cell_volume   282.578
_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  0.935  0.875  1.0
  Li  Li1  1  0.377  0.065  0.125  1.0
  Li  Li2  1  0.114  0.190  0.382  1.0
  Li  Li3  1  0.877  0.314  0.617  1.0
  Li  Li4  1  0.625  0.443  0.875  1.0
  Li  Li5  1  0.375  0.557  0.125  1.0
  Li  Li6  1  0.123  0.686  0.383  1.0
  Li  Li7  1  0.886  0.810  0.618  1.0
  Li  Li8  1  0.500  0.000  0.500  1.0
  Mn  Mn9  1  0.255  0.121  0.747  1.0
  Mn  Mn10  1  0.745  0.879  0.253  1.0
  Co  Co11  1  0.003  0.249  1.000  1.0
  Co  Co12  1  0.748  0.374  0.253  1.0
  Co  Co13  1  0.500  0.500  0.500  1.0
  Co  Co14  1  0.252  0.626  0.747  1.0
  Co  Co15  1  0.997  0.751  0.000  1.0
  O  O16  1  0.947  0.796  0.819  1.0
  O  O17  1  0.703  0.922  0.067  1.0
  O  O18  1  0.482  0.034  0.302  1.0
  O  O19  1  0.199  0.173  0.570  1.0
  O  O20  1  0.979  0.279  0.814  1.0
  O  O21  1  0.709  0.424  0.067  1.0
  O  O22  1  0.447  0.551  0.318  1.0
  O  O23  1  0.197  0.653  0.576  1.0
  O  O24  1  0.297  0.078  0.933  1.0
  O  O25  1  0.053  0.204  0.181  1.0
  O  O26  1  0.803  0.347  0.424  1.0
  O  O27  1  0.553  0.449  0.682  1.0
  O  O28  1  0.291  0.576  0.933  1.0
  O  O29  1  0.021  0.721  0.186  1.0
  O  O30  1  0.801  0.827  0.430  1.0
  O  O31  1  0.518  0.966  0.698  1.0
[/CIF]
.