The crystal structure described by Li9Mn2Co5O16 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(5) and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted linear geometry to two equivalent O(6) atoms. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(2), one O(7), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to two equivalent O(7) and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted linear geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to two equivalent O(7) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one O(1) and one O(3) atom. In the second Co site, Co(2) is bonded in a distorted linear geometry to two equivalent O(5) atoms. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one O(1), one O(4), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), one Mn(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Li(5) and one Mn(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(6) and one Co(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one Co(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2) and one Co(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(3), one Li(6), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), one Li(7), one Mn(2), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(5) and one Li(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.913
_cell_length_c   10.101
_cell_angle_alpha   106.279
_cell_angle_beta   89.831
_cell_angle_gamma   119.733
_symmetry_Int_Tables_number   1
_cell_volume   290.271
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.744  0.746  0.744  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.238  0.744  0.745  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  Li  Li6  1  0.762  0.256  0.255  1.0
  Li  Li7  1  0.256  0.254  0.256  1.0
  Li  Li8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.500  0.500  1.0
  Co  Co11  1  0.250  0.249  0.743  1.0
  Co  Co12  1  0.750  0.751  0.257  1.0
  Co  Co13  1  0.500  0.000  0.000  1.0
  Co  Co14  1  0.743  0.256  0.745  1.0
  Co  Co15  1  0.257  0.744  0.255  1.0
  O  O16  1  0.883  0.658  0.124  1.0
  O  O17  1  0.123  0.887  0.885  1.0
  O  O18  1  0.373  0.126  0.640  1.0
  O  O19  1  0.389  0.649  0.123  1.0
  O  O20  1  0.656  0.900  0.879  1.0
  O  O21  1  0.882  0.148  0.618  1.0
  O  O22  1  0.126  0.406  0.375  1.0
  O  O23  1  0.660  0.395  0.380  1.0
  O  O24  1  0.117  0.342  0.876  1.0
  O  O25  1  0.340  0.605  0.620  1.0
  O  O26  1  0.627  0.874  0.360  1.0
  O  O27  1  0.611  0.351  0.877  1.0
  O  O28  1  0.874  0.594  0.625  1.0
  O  O29  1  0.118  0.852  0.382  1.0
  O  O30  1  0.344  0.100  0.121  1.0
  O  O31  1  0.877  0.113  0.115  1.0
[/CIF]
.
The crystal structure described by Li9Mn2Co5O16 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(5) and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted linear geometry to two equivalent O(6) atoms. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(2), one O(7), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to two equivalent O(7) and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted linear geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to two equivalent O(7) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one O(1) and one O(3) atom. In the second Co site, Co(2) is bonded in a distorted linear geometry to two equivalent O(5) atoms. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one O(1), one O(4), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), one Mn(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Li(5) and one Mn(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(6) and one Co(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one Co(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2) and one Co(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(3), one Li(6), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), one Li(7), one Mn(2), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(5) and one Li(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.913
_cell_length_c   10.101
_cell_angle_alpha   106.279
_cell_angle_beta   89.831
_cell_angle_gamma   119.733
_symmetry_Int_Tables_number   1
_cell_volume   290.271
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.744  0.746  0.744  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.238  0.744  0.745  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  Li  Li6  1  0.762  0.256  0.255  1.0
  Li  Li7  1  0.256  0.254  0.256  1.0
  Li  Li8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.500  0.500  1.0
  Co  Co11  1  0.250  0.249  0.743  1.0
  Co  Co12  1  0.750  0.751  0.257  1.0
  Co  Co13  1  0.500  0.000  0.000  1.0
  Co  Co14  1  0.743  0.256  0.745  1.0
  Co  Co15  1  0.257  0.744  0.255  1.0
  O  O16  1  0.883  0.658  0.124  1.0
  O  O17  1  0.123  0.887  0.885  1.0
  O  O18  1  0.373  0.126  0.640  1.0
  O  O19  1  0.389  0.649  0.123  1.0
  O  O20  1  0.656  0.900  0.879  1.0
  O  O21  1  0.882  0.148  0.618  1.0
  O  O22  1  0.126  0.406  0.375  1.0
  O  O23  1  0.660  0.395  0.380  1.0
  O  O24  1  0.117  0.342  0.876  1.0
  O  O25  1  0.340  0.605  0.620  1.0
  O  O26  1  0.627  0.874  0.360  1.0
  O  O27  1  0.611  0.351  0.877  1.0
  O  O28  1  0.874  0.594  0.625  1.0
  O  O29  1  0.118  0.852  0.382  1.0
  O  O30  1  0.344  0.100  0.121  1.0
  O  O31  1  0.877  0.113  0.115  1.0
[/CIF]
.