The structure described by Li10Fe9CoO20 is alpha Po-derived structured and crystallizes in the monoclinic P2/m space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with five equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Li site, Li(3) is bonded to one O(2), one O(8), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Fe(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, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Li site, Li(4) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth Li site, Li(5) is bonded to two equivalent O(7) and four equivalent O(10) atoms to form LiO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, edges with four equivalent Li(6)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the sixth Li site, Li(6) is bonded to one O(10), one O(6), two equivalent O(7), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with five equivalent Fe(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(3)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, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Fe site, Fe(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with five equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Fe site, Fe(3) is bonded to one O(4), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(8), two equivalent O(7), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with five equivalent Li(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(9) and four equivalent O(10) atoms to form FeO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, edges with four equivalent Li(6)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Fe(2), and two equivalent Co(1) atoms to form OLi3FeCo2 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra, corners with four equivalent O(1)Li3FeCo2 octahedra, edges with four equivalent O(2)Li3Fe2Co octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3FeCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), two equivalent Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(2)Li3Fe2Co octahedra,  a cornercorner with one O(8)Li3Fe3 octahedra, corners with four equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3FeCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Fe(1), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(6)Li3Fe3 octahedra, corners with four equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3FeCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(3), one Fe(3), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(7)Li3Fe3 octahedra,  a cornercorner with one O(1)Li3FeCo2 octahedra, corners with four equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, and edges with two equivalent O(8)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(3), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(9)Li3Fe3 octahedra,  a cornercorner with one O(1)Li3FeCo2 octahedra, corners with four equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, and edges with two equivalent O(8)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(4), one Fe(1), and two equivalent Fe(3) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to one Li(5), two equivalent Li(6), one Fe(3), and two equivalent Fe(4) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Li(4), one Fe(4), and two equivalent Fe(3) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe2Co octahedra,  a cornercorner with one O(10)Li3Fe3 octahedra, corners with four equivalent O(6)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, edges with two equivalent O(7)Li3Fe3 octahedra, edges with two equivalent O(8)Li3Fe3 octahedra, and edges with two equivalent O(9)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded to one Li(4), two equivalent Li(6), one Fe(5), and two equivalent Fe(4) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to one Li(6), two equivalent Li(5), one Fe(4), and two equivalent Fe(5) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li10Fe9CoO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.973
_cell_length_b   5.979
_cell_length_c   21.256
_cell_angle_alpha   82.458
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.567
_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  0.000  0.703  0.098  1.0
  Li  Li2  1  0.500  0.900  0.201  1.0
  Li  Li3  1  0.000  0.100  0.300  1.0
  Li  Li4  1  0.000  0.500  0.500  1.0
  Li  Li5  1  0.500  0.300  0.400  1.0
  Li  Li6  1  0.500  0.700  0.600  1.0
  Li  Li7  1  0.000  0.900  0.700  1.0
  Li  Li8  1  0.500  0.100  0.799  1.0
  Li  Li9  1  0.000  0.297  0.902  1.0
  Fe  Fe10  1  0.500  0.399  0.199  1.0
  Fe  Fe11  1  0.000  0.195  0.098  1.0
  Fe  Fe12  1  0.000  0.599  0.300  1.0
  Fe  Fe13  1  0.500  0.800  0.400  1.0
  Fe  Fe14  1  0.000  0.000  0.500  1.0
  Fe  Fe15  1  0.000  0.401  0.700  1.0
  Fe  Fe16  1  0.500  0.200  0.600  1.0
  Fe  Fe17  1  0.500  0.601  0.801  1.0
  Fe  Fe18  1  0.000  0.805  0.902  1.0
  Co  Co19  1  0.500  0.000  0.000  1.0
  O  O20  1  0.000  0.781  0.998  1.0
  O  O21  1  0.500  0.036  0.906  1.0
  O  O22  1  0.000  0.219  0.002  1.0
  O  O23  1  0.500  0.433  0.101  1.0
  O  O24  1  0.500  0.964  0.094  1.0
  O  O25  1  0.000  0.635  0.202  1.0
  O  O26  1  0.000  0.164  0.196  1.0
  O  O27  1  0.500  0.365  0.297  1.0
  O  O28  1  0.000  0.565  0.397  1.0
  O  O29  1  0.500  0.835  0.303  1.0
  O  O30  1  0.000  0.035  0.403  1.0
  O  O31  1  0.500  0.765  0.497  1.0
  O  O32  1  0.000  0.435  0.603  1.0
  O  O33  1  0.000  0.965  0.597  1.0
  O  O34  1  0.500  0.235  0.503  1.0
  O  O35  1  0.000  0.365  0.798  1.0
  O  O36  1  0.500  0.635  0.703  1.0
  O  O37  1  0.500  0.165  0.697  1.0
  O  O38  1  0.000  0.836  0.804  1.0
  O  O39  1  0.500  0.567  0.899  1.0
[/CIF]
.
The structure described by Li10Fe9CoO20 is alpha Po-derived structured and crystallizes in the monoclinic P2/m space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with five equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Li site, Li(3) is bonded to one O(2), one O(8), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Fe(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, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Li site, Li(4) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth Li site, Li(5) is bonded to two equivalent O(7) and four equivalent O(10) atoms to form LiO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, edges with four equivalent Li(6)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the sixth Li site, Li(6) is bonded to one O(10), one O(6), two equivalent O(7), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with five equivalent Fe(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(3)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, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Fe site, Fe(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with five equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Fe site, Fe(3) is bonded to one O(4), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(8), two equivalent O(7), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with five equivalent Li(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(9) and four equivalent O(10) atoms to form FeO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, edges with four equivalent Li(6)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Fe(2), and two equivalent Co(1) atoms to form OLi3FeCo2 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra, corners with four equivalent O(1)Li3FeCo2 octahedra, edges with four equivalent O(2)Li3Fe2Co octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3FeCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), two equivalent Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(2)Li3Fe2Co octahedra,  a cornercorner with one O(8)Li3Fe3 octahedra, corners with four equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3FeCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Fe(1), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(6)Li3Fe3 octahedra, corners with four equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3FeCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(3), one Fe(3), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(7)Li3Fe3 octahedra,  a cornercorner with one O(1)Li3FeCo2 octahedra, corners with four equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, and edges with two equivalent O(8)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(3), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(9)Li3Fe3 octahedra,  a cornercorner with one O(1)Li3FeCo2 octahedra, corners with four equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(2)Li3Fe2Co octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, and edges with two equivalent O(8)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(4), one Fe(1), and two equivalent Fe(3) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to one Li(5), two equivalent Li(6), one Fe(3), and two equivalent Fe(4) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Li(4), one Fe(4), and two equivalent Fe(3) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe2Co octahedra,  a cornercorner with one O(10)Li3Fe3 octahedra, corners with four equivalent O(6)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, edges with two equivalent O(7)Li3Fe3 octahedra, edges with two equivalent O(8)Li3Fe3 octahedra, and edges with two equivalent O(9)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded to one Li(4), two equivalent Li(6), one Fe(5), and two equivalent Fe(4) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to one Li(6), two equivalent Li(5), one Fe(4), and two equivalent Fe(5) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li10Fe9CoO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.973
_cell_length_b   5.979
_cell_length_c   21.256
_cell_angle_alpha   82.458
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.567
_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  0.000  0.703  0.098  1.0
  Li  Li2  1  0.500  0.900  0.201  1.0
  Li  Li3  1  0.000  0.100  0.300  1.0
  Li  Li4  1  0.000  0.500  0.500  1.0
  Li  Li5  1  0.500  0.300  0.400  1.0
  Li  Li6  1  0.500  0.700  0.600  1.0
  Li  Li7  1  0.000  0.900  0.700  1.0
  Li  Li8  1  0.500  0.100  0.799  1.0
  Li  Li9  1  0.000  0.297  0.902  1.0
  Fe  Fe10  1  0.500  0.399  0.199  1.0
  Fe  Fe11  1  0.000  0.195  0.098  1.0
  Fe  Fe12  1  0.000  0.599  0.300  1.0
  Fe  Fe13  1  0.500  0.800  0.400  1.0
  Fe  Fe14  1  0.000  0.000  0.500  1.0
  Fe  Fe15  1  0.000  0.401  0.700  1.0
  Fe  Fe16  1  0.500  0.200  0.600  1.0
  Fe  Fe17  1  0.500  0.601  0.801  1.0
  Fe  Fe18  1  0.000  0.805  0.902  1.0
  Co  Co19  1  0.500  0.000  0.000  1.0
  O  O20  1  0.000  0.781  0.998  1.0
  O  O21  1  0.500  0.036  0.906  1.0
  O  O22  1  0.000  0.219  0.002  1.0
  O  O23  1  0.500  0.433  0.101  1.0
  O  O24  1  0.500  0.964  0.094  1.0
  O  O25  1  0.000  0.635  0.202  1.0
  O  O26  1  0.000  0.164  0.196  1.0
  O  O27  1  0.500  0.365  0.297  1.0
  O  O28  1  0.000  0.565  0.397  1.0
  O  O29  1  0.500  0.835  0.303  1.0
  O  O30  1  0.000  0.035  0.403  1.0
  O  O31  1  0.500  0.765  0.497  1.0
  O  O32  1  0.000  0.435  0.603  1.0
  O  O33  1  0.000  0.965  0.597  1.0
  O  O34  1  0.500  0.235  0.503  1.0
  O  O35  1  0.000  0.365  0.798  1.0
  O  O36  1  0.500  0.635  0.703  1.0
  O  O37  1  0.500  0.165  0.697  1.0
  O  O38  1  0.000  0.836  0.804  1.0
  O  O39  1  0.500  0.567  0.899  1.0
[/CIF]
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