The material described by Li4Cr3Fe2Co3O16 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 Co(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded in a 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 Co(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. 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 Cr(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent Fe(2)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 Cr(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 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(2)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are two 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 distorted FeO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Fe site, Fe(2) 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 Co(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Co site, Co(2) 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 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(2)O6 octahedra, edges with two equivalent Cr(2)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 are 52°. 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 Cr(2), one Fe(1), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe tetrahedra that share corners with two equivalent O(4)LiCr2Co tetrahedra, corners with two equivalent O(6)LiCrFeCo tetrahedra, and edges with two equivalent O(6)LiCrFeCo tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Co(1) atom to form OLiCr2Co tetrahedra that share corners with two equivalent O(2)LiCr2Fe tetrahedra and corners with four equivalent O(6)LiCrFeCo tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Co(2) atoms to form OLiCrCo2 tetrahedra that share corners with two equivalent O(12)LiFeCo2 tetrahedra and corners with four equivalent O(9)LiCrFeCo tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Fe(1), and one Co(1) atom to form distorted OLiCrFeCo tetrahedra that share  a cornercorner with one O(2)LiCr2Fe tetrahedra,  a cornercorner with one O(6)LiCrFeCo tetrahedra, corners with two equivalent O(4)LiCr2Co tetrahedra,  an edgeedge with one O(2)LiCr2Fe tetrahedra, and  an edgeedge with one O(6)LiCrFeCo tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cr(1), and one Fe(2) atom. 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 Co(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Fe(2), and one Co(2) atom to form distorted OLiCrFeCo tetrahedra that share  a cornercorner with one O(9)LiCrFeCo tetrahedra,  a cornercorner with one O(12)LiFeCo2 tetrahedra, corners with two equivalent O(5)LiCrCo2 tetrahedra,  an edgeedge with one O(9)LiCrFeCo tetrahedra, and  an edgeedge with one O(12)LiFeCo2 tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(2), and two equivalent Co(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Fe(2), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Fe(2), and two equivalent Co(2) atoms to form distorted OLiFeCo2 tetrahedra that share corners with two equivalent O(5)LiCrCo2 tetrahedra, corners with two equivalent O(9)LiCrFeCo tetrahedra, and edges with two equivalent O(9)LiCrFeCo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Cr3Fe2Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   5.730
_cell_length_c   9.416
_cell_angle_alpha   89.990
_cell_angle_beta   89.726
_cell_angle_gamma   120.134
_symmetry_Int_Tables_number   1
_cell_volume   266.327
_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  0.339  0.669  0.891  1.0
  Li  Li1  1  0.988  0.994  0.995  1.0
  Li  Li2  1  0.990  0.995  0.498  1.0
  Li  Li3  1  0.667  0.334  0.396  1.0
  Cr  Cr4  1  0.173  0.827  0.215  1.0
  Cr  Cr5  1  0.172  0.346  0.215  1.0
  Cr  Cr6  1  0.348  0.173  0.715  1.0
  Fe  Fe7  1  0.338  0.669  0.499  1.0
  Fe  Fe8  1  0.676  0.338  0.992  1.0
  Co  Co9  1  0.658  0.829  0.213  1.0
  Co  Co10  1  0.829  0.660  0.713  1.0
  Co  Co11  1  0.828  0.169  0.713  1.0
  O  O12  1  0.165  0.839  0.602  1.0
  O  O13  1  0.033  0.516  0.334  1.0
  O  O14  1  0.337  0.669  0.101  1.0
  O  O15  1  0.997  0.998  0.307  1.0
  O  O16  1  0.997  0.999  0.806  1.0
  O  O17  1  0.165  0.326  0.603  1.0
  O  O18  1  0.480  0.960  0.338  1.0
  O  O19  1  0.480  0.521  0.338  1.0
  O  O20  1  0.325  0.162  0.102  1.0
  O  O21  1  0.669  0.835  0.606  1.0
  O  O22  1  0.522  0.482  0.836  1.0
  O  O23  1  0.521  0.039  0.837  1.0
  O  O24  1  0.673  0.337  0.605  1.0
  O  O25  1  0.835  0.670  0.103  1.0
  O  O26  1  0.959  0.480  0.833  1.0
  O  O27  1  0.835  0.165  0.103  1.0
[/CIF]
.
The material described by Li4Cr3Fe2Co3O16 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 Co(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded in a 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 Co(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. 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 Cr(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent Fe(2)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 Cr(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 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(2)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are two 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 distorted FeO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Fe site, Fe(2) 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 Co(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Co site, Co(2) 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 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(2)O6 octahedra, edges with two equivalent Cr(2)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 are 52°. 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 Cr(2), one Fe(1), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe tetrahedra that share corners with two equivalent O(4)LiCr2Co tetrahedra, corners with two equivalent O(6)LiCrFeCo tetrahedra, and edges with two equivalent O(6)LiCrFeCo tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Co(1) atom to form OLiCr2Co tetrahedra that share corners with two equivalent O(2)LiCr2Fe tetrahedra and corners with four equivalent O(6)LiCrFeCo tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Co(2) atoms to form OLiCrCo2 tetrahedra that share corners with two equivalent O(12)LiFeCo2 tetrahedra and corners with four equivalent O(9)LiCrFeCo tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Fe(1), and one Co(1) atom to form distorted OLiCrFeCo tetrahedra that share  a cornercorner with one O(2)LiCr2Fe tetrahedra,  a cornercorner with one O(6)LiCrFeCo tetrahedra, corners with two equivalent O(4)LiCr2Co tetrahedra,  an edgeedge with one O(2)LiCr2Fe tetrahedra, and  an edgeedge with one O(6)LiCrFeCo tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cr(1), and one Fe(2) atom. 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 Co(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Fe(2), and one Co(2) atom to form distorted OLiCrFeCo tetrahedra that share  a cornercorner with one O(9)LiCrFeCo tetrahedra,  a cornercorner with one O(12)LiFeCo2 tetrahedra, corners with two equivalent O(5)LiCrCo2 tetrahedra,  an edgeedge with one O(9)LiCrFeCo tetrahedra, and  an edgeedge with one O(12)LiFeCo2 tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(2), and two equivalent Co(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Fe(2), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Fe(2), and two equivalent Co(2) atoms to form distorted OLiFeCo2 tetrahedra that share corners with two equivalent O(5)LiCrCo2 tetrahedra, corners with two equivalent O(9)LiCrFeCo tetrahedra, and edges with two equivalent O(9)LiCrFeCo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Cr3Fe2Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   5.730
_cell_length_c   9.416
_cell_angle_alpha   89.990
_cell_angle_beta   89.726
_cell_angle_gamma   120.134
_symmetry_Int_Tables_number   1
_cell_volume   266.327
_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  0.339  0.669  0.891  1.0
  Li  Li1  1  0.988  0.994  0.995  1.0
  Li  Li2  1  0.990  0.995  0.498  1.0
  Li  Li3  1  0.667  0.334  0.396  1.0
  Cr  Cr4  1  0.173  0.827  0.215  1.0
  Cr  Cr5  1  0.172  0.346  0.215  1.0
  Cr  Cr6  1  0.348  0.173  0.715  1.0
  Fe  Fe7  1  0.338  0.669  0.499  1.0
  Fe  Fe8  1  0.676  0.338  0.992  1.0
  Co  Co9  1  0.658  0.829  0.213  1.0
  Co  Co10  1  0.829  0.660  0.713  1.0
  Co  Co11  1  0.828  0.169  0.713  1.0
  O  O12  1  0.165  0.839  0.602  1.0
  O  O13  1  0.033  0.516  0.334  1.0
  O  O14  1  0.337  0.669  0.101  1.0
  O  O15  1  0.997  0.998  0.307  1.0
  O  O16  1  0.997  0.999  0.806  1.0
  O  O17  1  0.165  0.326  0.603  1.0
  O  O18  1  0.480  0.960  0.338  1.0
  O  O19  1  0.480  0.521  0.338  1.0
  O  O20  1  0.325  0.162  0.102  1.0
  O  O21  1  0.669  0.835  0.606  1.0
  O  O22  1  0.522  0.482  0.836  1.0
  O  O23  1  0.521  0.039  0.837  1.0
  O  O24  1  0.673  0.337  0.605  1.0
  O  O25  1  0.835  0.670  0.103  1.0
  O  O26  1  0.959  0.480  0.833  1.0
  O  O27  1  0.835  0.165  0.103  1.0
[/CIF]
.