The structure described by Li9Mn2Co5O16 is Caswellsilverite-derived structured and crystallizes in the monoclinic Pm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the third Li site, Li(3) is bonded to one O(3), one O(9), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fifth Li site, Li(5) is bonded to one O(11), one O(5), two equivalent O(10), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the sixth Li site, Li(6) is bonded to one O(12), one O(6), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh Li site, Li(7) is bonded to one O(1), one O(12), two equivalent O(10), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. Mn(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second Co site, Co(2) is bonded to one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third Co site, Co(3) is bonded to one O(5), one O(9), two equivalent O(10), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Co site, Co(4) is bonded to one O(11), one O(3), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(7), two equivalent Li(4), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(12)Li4Co2 octahedra, corners with two equivalent O(9)Li3Co3 octahedra, corners with two equivalent O(11)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(12)Li4Co2 octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Co2 octahedra, and edges with four equivalent O(10)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(5), one Mn(1), one Co(1), and one Co(4) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(8)Li3Co3 octahedra, corners with three equivalent O(10)Li4MnCo octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(8)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4MnCo octahedra, edges with two equivalent O(11)Li3Mn2Co octahedra, edges with two equivalent O(7)Li3Mn2Co octahedra, and edges with two equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(2), one Co(4), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(9)Li3Co3 octahedra,  a cornercorner with one O(11)Li3Mn2Co octahedra, corners with two equivalent O(7)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4Co2 octahedra,  an edgeedge with one O(9)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Co2 octahedra, and edges with four equivalent O(8)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(6), one Li(7), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share corners with three equivalent O(8)Li3Co3 octahedra, corners with three equivalent O(10)Li4MnCo octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(8)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4MnCo octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(12)Li4Co2 octahedra, and edges with two equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(4), two equivalent Mn(1), and one Co(3) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(9)Li3Co3 octahedra,  a cornercorner with one O(11)Li3Mn2Co octahedra, corners with two equivalent O(7)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4Co2 octahedra,  an edgeedge with one O(9)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Co2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with four equivalent O(10)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(2), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(12)Li4Co2 octahedra, corners with two equivalent O(9)Li3Co3 octahedra, corners with two equivalent O(11)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(12)Li4Co2 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Co2 octahedra, and edges with four equivalent O(8)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the seventh O site, O(7) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with two equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(5)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(11)Li3Mn2Co octahedra, edges with two equivalent O(10)Li4MnCo octahedra, and edges with four equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(6), one Co(1), one Co(2), and one Co(4) atom to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3MnCo2 octahedra, corners with three equivalent O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, and edges with two equivalent O(8)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Li(4), one Co(3), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(3)Li3Co3 octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(12)Li4Co2 octahedra, edges with two equivalent O(10)Li4MnCo octahedra, and edges with four equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(5), one Li(7), one Mn(1), and one Co(3) atom to form distorted OLi4MnCo octahedra that share corners with three equivalent O(2)Li3MnCo2 octahedra, corners with three equivalent O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(10)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the eleventh O site, O(11) is bonded to one Li(5), two equivalent Li(2), two equivalent Mn(1), and one Co(4) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(3)Li3Co3 octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(7)Li3Mn2Co octahedra, edges with two equivalent O(10)Li4MnCo octahedra, and edges with four equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the twelfth O site, O(12) is bonded to one Li(6), one Li(7), two equivalent Li(4), and two equivalent Co(2) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with two equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(5)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(10)Li4MnCo octahedra, and edges with four equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   5.198
_cell_length_c   9.720
_cell_angle_alpha   81.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.185
_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  0.000  0.498  0.991  1.0
  Li  Li1  1  0.755  0.248  0.261  1.0
  Li  Li2  1  0.500  0.995  0.509  1.0
  Li  Li3  1  0.752  0.760  0.736  1.0
  Li  Li4  1  0.500  0.492  0.996  1.0
  Li  Li5  1  0.245  0.248  0.261  1.0
  Li  Li6  1  0.248  0.760  0.736  1.0
  Li  Li7  1  0.000  0.005  0.506  1.0
  Li  Li8  1  0.000  0.253  0.747  1.0
  Mn  Mn9  1  0.249  0.003  0.997  1.0
  Mn  Mn10  1  0.751  0.003  0.997  1.0
  Co  Co11  1  0.000  0.750  0.251  1.0
  Co  Co12  1  0.754  0.489  0.507  1.0
  Co  Co13  1  0.500  0.244  0.750  1.0
  Co  Co14  1  0.500  0.751  0.257  1.0
  Co  Co15  1  0.246  0.489  0.507  1.0
  O  O16  1  0.000  0.876  0.890  1.0
  O  O17  1  0.759  0.666  0.127  1.0
  O  O18  1  0.500  0.401  0.376  1.0
  O  O19  1  0.732  0.148  0.628  1.0
  O  O20  1  0.500  0.865  0.896  1.0
  O  O21  1  0.241  0.666  0.127  1.0
  O  O22  1  0.268  0.148  0.628  1.0
  O  O23  1  0.000  0.377  0.380  1.0
  O  O24  1  0.000  0.132  0.103  1.0
  O  O25  1  0.759  0.861  0.364  1.0
  O  O26  1  0.500  0.622  0.621  1.0
  O  O27  1  0.736  0.327  0.879  1.0
  O  O28  1  0.500  0.110  0.115  1.0
  O  O29  1  0.241  0.861  0.364  1.0
  O  O30  1  0.264  0.327  0.879  1.0
  O  O31  1  0.000  0.623  0.614  1.0
[/CIF]
.
The structure described by Li9Mn2Co5O16 is Caswellsilverite-derived structured and crystallizes in the monoclinic Pm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the third Li site, Li(3) is bonded to one O(3), one O(9), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fifth Li site, Li(5) is bonded to one O(11), one O(5), two equivalent O(10), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the sixth Li site, Li(6) is bonded to one O(12), one O(6), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh Li site, Li(7) is bonded to one O(1), one O(12), two equivalent O(10), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. Mn(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second Co site, Co(2) is bonded to one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third Co site, Co(3) is bonded to one O(5), one O(9), two equivalent O(10), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Co site, Co(4) is bonded to one O(11), one O(3), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(7), two equivalent Li(4), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(12)Li4Co2 octahedra, corners with two equivalent O(9)Li3Co3 octahedra, corners with two equivalent O(11)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(12)Li4Co2 octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Co2 octahedra, and edges with four equivalent O(10)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(5), one Mn(1), one Co(1), and one Co(4) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(8)Li3Co3 octahedra, corners with three equivalent O(10)Li4MnCo octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(8)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4MnCo octahedra, edges with two equivalent O(11)Li3Mn2Co octahedra, edges with two equivalent O(7)Li3Mn2Co octahedra, and edges with two equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(2), one Co(4), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(9)Li3Co3 octahedra,  a cornercorner with one O(11)Li3Mn2Co octahedra, corners with two equivalent O(7)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4Co2 octahedra,  an edgeedge with one O(9)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Co2 octahedra, and edges with four equivalent O(8)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(6), one Li(7), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share corners with three equivalent O(8)Li3Co3 octahedra, corners with three equivalent O(10)Li4MnCo octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(8)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4MnCo octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(12)Li4Co2 octahedra, and edges with two equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(4), two equivalent Mn(1), and one Co(3) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(9)Li3Co3 octahedra,  a cornercorner with one O(11)Li3Mn2Co octahedra, corners with two equivalent O(7)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4Co2 octahedra,  an edgeedge with one O(9)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Co2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with four equivalent O(10)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(2), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(12)Li4Co2 octahedra, corners with two equivalent O(9)Li3Co3 octahedra, corners with two equivalent O(11)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(12)Li4Co2 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Co2 octahedra, and edges with four equivalent O(8)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the seventh O site, O(7) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with two equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(5)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(11)Li3Mn2Co octahedra, edges with two equivalent O(10)Li4MnCo octahedra, and edges with four equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(6), one Co(1), one Co(2), and one Co(4) atom to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3MnCo2 octahedra, corners with three equivalent O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, and edges with two equivalent O(8)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Li(4), one Co(3), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(3)Li3Co3 octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(12)Li4Co2 octahedra, edges with two equivalent O(10)Li4MnCo octahedra, and edges with four equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(5), one Li(7), one Mn(1), and one Co(3) atom to form distorted OLi4MnCo octahedra that share corners with three equivalent O(2)Li3MnCo2 octahedra, corners with three equivalent O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(10)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the eleventh O site, O(11) is bonded to one Li(5), two equivalent Li(2), two equivalent Mn(1), and one Co(4) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(3)Li3Co3 octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(7)Li3Mn2Co octahedra, edges with two equivalent O(10)Li4MnCo octahedra, and edges with four equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the twelfth O site, O(12) is bonded to one Li(6), one Li(7), two equivalent Li(4), and two equivalent Co(2) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with two equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(5)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(10)Li4MnCo octahedra, and edges with four equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn2Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   5.198
_cell_length_c   9.720
_cell_angle_alpha   81.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.185
_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  0.000  0.498  0.991  1.0
  Li  Li1  1  0.755  0.248  0.261  1.0
  Li  Li2  1  0.500  0.995  0.509  1.0
  Li  Li3  1  0.752  0.760  0.736  1.0
  Li  Li4  1  0.500  0.492  0.996  1.0
  Li  Li5  1  0.245  0.248  0.261  1.0
  Li  Li6  1  0.248  0.760  0.736  1.0
  Li  Li7  1  0.000  0.005  0.506  1.0
  Li  Li8  1  0.000  0.253  0.747  1.0
  Mn  Mn9  1  0.249  0.003  0.997  1.0
  Mn  Mn10  1  0.751  0.003  0.997  1.0
  Co  Co11  1  0.000  0.750  0.251  1.0
  Co  Co12  1  0.754  0.489  0.507  1.0
  Co  Co13  1  0.500  0.244  0.750  1.0
  Co  Co14  1  0.500  0.751  0.257  1.0
  Co  Co15  1  0.246  0.489  0.507  1.0
  O  O16  1  0.000  0.876  0.890  1.0
  O  O17  1  0.759  0.666  0.127  1.0
  O  O18  1  0.500  0.401  0.376  1.0
  O  O19  1  0.732  0.148  0.628  1.0
  O  O20  1  0.500  0.865  0.896  1.0
  O  O21  1  0.241  0.666  0.127  1.0
  O  O22  1  0.268  0.148  0.628  1.0
  O  O23  1  0.000  0.377  0.380  1.0
  O  O24  1  0.000  0.132  0.103  1.0
  O  O25  1  0.759  0.861  0.364  1.0
  O  O26  1  0.500  0.622  0.621  1.0
  O  O27  1  0.736  0.327  0.879  1.0
  O  O28  1  0.500  0.110  0.115  1.0
  O  O29  1  0.241  0.861  0.364  1.0
  O  O30  1  0.264  0.327  0.879  1.0
  O  O31  1  0.000  0.623  0.614  1.0
[/CIF]
.