The material structure described by Li4Fe5Co3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the third Fe site, Fe(3) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one 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 50-53°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with four equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), one Fe(4), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(4), one Fe(1), and two equivalent Co(1) atoms to form distorted OLiFeCo2 tetrahedra that share corners with two equivalent O(6)LiFe2Co tetrahedra, corners with two equivalent O(4)LiFeCo2 tetrahedra,  a cornercorner with one O(10)LiFe2Co trigonal pyramid, corners with two equivalent O(7)LiFeCo2 trigonal pyramids, and edges with two equivalent O(6)LiFe2Co tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Fe(2), and two equivalent Co(1) atoms to form distorted OLiFeCo2 tetrahedra that share corners with two equivalent O(2)LiFeCo2 tetrahedra, corners with four equivalent O(6)LiFe2Co tetrahedra, and  an edgeedge with one O(7)LiFeCo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Fe(4), and one Co(2) atom to form OLiFe2Co tetrahedra that share corners with two equivalent O(12)LiFe3 tetrahedra,  a cornercorner with one O(7)LiFeCo2 trigonal pyramid, and corners with three equivalent O(10)LiFe2Co trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Fe(1), one Fe(2), and one Co(1) atom to form distorted OLiFe2Co tetrahedra that share  a cornercorner with one O(6)LiFe2Co tetrahedra,  a cornercorner with one O(2)LiFeCo2 tetrahedra, corners with two equivalent O(4)LiFeCo2 tetrahedra,  a cornercorner with one O(10)LiFe2Co trigonal pyramid,  a cornercorner with one O(7)LiFeCo2 trigonal pyramid,  an edgeedge with one O(6)LiFe2Co tetrahedra, and  an edgeedge with one O(2)LiFeCo2 tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Fe(3), and two equivalent Co(1) atoms to form distorted OLiFeCo2 trigonal pyramids that share  a cornercorner with one O(5)LiFe2Co tetrahedra,  a cornercorner with one O(12)LiFe3 tetrahedra, corners with two equivalent O(6)LiFe2Co tetrahedra, corners with two equivalent O(2)LiFeCo2 tetrahedra, and  an edgeedge with one O(4)LiFeCo2 tetrahedra. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(3), one Fe(4), and one Co(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Fe(4), and one Co(2) atom to form distorted OLiFe2Co trigonal pyramids that share  a cornercorner with one O(2)LiFeCo2 tetrahedra, corners with two equivalent O(6)LiFe2Co tetrahedra, corners with three equivalent O(5)LiFe2Co tetrahedra, and  an edgeedge with one O(12)LiFe3 tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), one Fe(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Fe(3), and two equivalent Fe(4) atoms to form distorted OLiFe3 tetrahedra that share corners with two equivalent O(5)LiFe2Co tetrahedra,  a cornercorner with one O(7)LiFeCo2 trigonal pyramid, and  an edgeedge with one O(10)LiFe2Co trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe5Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.867
_cell_length_b   5.867
_cell_length_c   9.561
_cell_angle_alpha   89.397
_cell_angle_beta   89.397
_cell_angle_gamma   59.981
_symmetry_Int_Tables_number   1
_cell_volume   284.947
_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  0.662  0.662  0.102  1.0
  Li  Li1  1  0.005  0.005  0.002  1.0
  Li  Li2  1  0.006  0.006  0.505  1.0
  Li  Li3  1  0.329  0.329  0.610  1.0
  Fe  Fe4  1  0.669  0.669  0.510  1.0
  Fe  Fe5  1  0.829  0.829  0.786  1.0
  Fe  Fe6  1  0.335  0.335  0.012  1.0
  Fe  Fe7  1  0.170  0.659  0.283  1.0
  Fe  Fe8  1  0.659  0.170  0.283  1.0
  Co  Co9  1  0.339  0.829  0.788  1.0
  Co  Co10  1  0.829  0.339  0.788  1.0
  Co  Co11  1  0.170  0.170  0.286  1.0
  O  O12  1  0.331  0.839  0.400  1.0
  O  O13  1  0.520  0.520  0.676  1.0
  O  O14  1  0.657  0.657  0.893  1.0
  O  O15  1  0.009  0.009  0.693  1.0
  O  O16  1  0.006  0.006  0.192  1.0
  O  O17  1  0.839  0.331  0.400  1.0
  O  O18  1  0.507  0.959  0.668  1.0
  O  O19  1  0.959  0.507  0.668  1.0
  O  O20  1  0.159  0.159  0.888  1.0
  O  O21  1  0.839  0.839  0.404  1.0
  O  O22  1  0.036  0.476  0.156  1.0
  O  O23  1  0.476  0.036  0.156  1.0
  O  O24  1  0.328  0.328  0.394  1.0
  O  O25  1  0.170  0.678  0.896  1.0
  O  O26  1  0.480  0.480  0.157  1.0
  O  O27  1  0.678  0.170  0.896  1.0
[/CIF]
.
The material structure described by Li4Fe5Co3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the third Fe site, Fe(3) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one 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 50-53°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with four equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), one Fe(4), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(4), one Fe(1), and two equivalent Co(1) atoms to form distorted OLiFeCo2 tetrahedra that share corners with two equivalent O(6)LiFe2Co tetrahedra, corners with two equivalent O(4)LiFeCo2 tetrahedra,  a cornercorner with one O(10)LiFe2Co trigonal pyramid, corners with two equivalent O(7)LiFeCo2 trigonal pyramids, and edges with two equivalent O(6)LiFe2Co tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Fe(2), and two equivalent Co(1) atoms to form distorted OLiFeCo2 tetrahedra that share corners with two equivalent O(2)LiFeCo2 tetrahedra, corners with four equivalent O(6)LiFe2Co tetrahedra, and  an edgeedge with one O(7)LiFeCo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Fe(4), and one Co(2) atom to form OLiFe2Co tetrahedra that share corners with two equivalent O(12)LiFe3 tetrahedra,  a cornercorner with one O(7)LiFeCo2 trigonal pyramid, and corners with three equivalent O(10)LiFe2Co trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Fe(1), one Fe(2), and one Co(1) atom to form distorted OLiFe2Co tetrahedra that share  a cornercorner with one O(6)LiFe2Co tetrahedra,  a cornercorner with one O(2)LiFeCo2 tetrahedra, corners with two equivalent O(4)LiFeCo2 tetrahedra,  a cornercorner with one O(10)LiFe2Co trigonal pyramid,  a cornercorner with one O(7)LiFeCo2 trigonal pyramid,  an edgeedge with one O(6)LiFe2Co tetrahedra, and  an edgeedge with one O(2)LiFeCo2 tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Fe(3), and two equivalent Co(1) atoms to form distorted OLiFeCo2 trigonal pyramids that share  a cornercorner with one O(5)LiFe2Co tetrahedra,  a cornercorner with one O(12)LiFe3 tetrahedra, corners with two equivalent O(6)LiFe2Co tetrahedra, corners with two equivalent O(2)LiFeCo2 tetrahedra, and  an edgeedge with one O(4)LiFeCo2 tetrahedra. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(3), one Fe(4), and one Co(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Fe(4), and one Co(2) atom to form distorted OLiFe2Co trigonal pyramids that share  a cornercorner with one O(2)LiFeCo2 tetrahedra, corners with two equivalent O(6)LiFe2Co tetrahedra, corners with three equivalent O(5)LiFe2Co tetrahedra, and  an edgeedge with one O(12)LiFe3 tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), one Fe(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Fe(3), and two equivalent Fe(4) atoms to form distorted OLiFe3 tetrahedra that share corners with two equivalent O(5)LiFe2Co tetrahedra,  a cornercorner with one O(7)LiFeCo2 trigonal pyramid, and  an edgeedge with one O(10)LiFe2Co trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe5Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.867
_cell_length_b   5.867
_cell_length_c   9.561
_cell_angle_alpha   89.397
_cell_angle_beta   89.397
_cell_angle_gamma   59.981
_symmetry_Int_Tables_number   1
_cell_volume   284.947
_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  0.662  0.662  0.102  1.0
  Li  Li1  1  0.005  0.005  0.002  1.0
  Li  Li2  1  0.006  0.006  0.505  1.0
  Li  Li3  1  0.329  0.329  0.610  1.0
  Fe  Fe4  1  0.669  0.669  0.510  1.0
  Fe  Fe5  1  0.829  0.829  0.786  1.0
  Fe  Fe6  1  0.335  0.335  0.012  1.0
  Fe  Fe7  1  0.170  0.659  0.283  1.0
  Fe  Fe8  1  0.659  0.170  0.283  1.0
  Co  Co9  1  0.339  0.829  0.788  1.0
  Co  Co10  1  0.829  0.339  0.788  1.0
  Co  Co11  1  0.170  0.170  0.286  1.0
  O  O12  1  0.331  0.839  0.400  1.0
  O  O13  1  0.520  0.520  0.676  1.0
  O  O14  1  0.657  0.657  0.893  1.0
  O  O15  1  0.009  0.009  0.693  1.0
  O  O16  1  0.006  0.006  0.192  1.0
  O  O17  1  0.839  0.331  0.400  1.0
  O  O18  1  0.507  0.959  0.668  1.0
  O  O19  1  0.959  0.507  0.668  1.0
  O  O20  1  0.159  0.159  0.888  1.0
  O  O21  1  0.839  0.839  0.404  1.0
  O  O22  1  0.036  0.476  0.156  1.0
  O  O23  1  0.476  0.036  0.156  1.0
  O  O24  1  0.328  0.328  0.394  1.0
  O  O25  1  0.170  0.678  0.896  1.0
  O  O26  1  0.480  0.480  0.157  1.0
  O  O27  1  0.678  0.170  0.896  1.0
[/CIF]
.