The crystal structure described by Li10Fe2Co3Ni3O16 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(16), one O(4), and one O(5) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fifth Li site, Li(5) is bonded to one O(10), one O(15), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-63°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(14), one O(15), one O(2), one O(3), one O(6), and one O(8) atom. In the seventh Li site, Li(7) is bonded to one O(12), one O(14), one O(16), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(11), one O(12), one O(16), one O(5), and one O(7) atom. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(2), one O(6), one O(8), and one O(9) atom. In the tenth Li site, Li(10) is bonded to one O(1), one O(12), one O(16), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-63°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(13), one O(16), one O(4), one O(5), and one O(7) atom to form distorted FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. In the second Fe site, Fe(2) is bonded to one O(10), one O(14), one O(15), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Co site, Co(2) is bonded to one O(11), one O(12), one O(2), one O(4), one O(6), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Co site, Co(3) is bonded to one O(11), one O(14), one O(16), one O(2), one O(4), and one O(6) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(12), one O(14), one O(16), one O(2), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second Ni site, Ni(2) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(13), one O(15), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(3), one Co(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(5), one Li(6), one Li(9), one Co(2), one Co(3), and one Ni(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(5), one Li(6), one Fe(2), one Co(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(7), one Fe(1), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(8), one Fe(1), one Co(1), and one Ni(2) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(7)Li3FeCoNi octahedra, edges with two equivalent O(13)Li3FeNi2 octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the sixth O site, O(6) is bonded to one Li(6), one Li(7), one Li(9), one Fe(2), one Co(2), and one Co(3) atom to form OLi3FeCo2 octahedra that share edges with two equivalent O(14)Li3FeCoNi octahedra, edges with two equivalent O(9)Li3FeCoNi octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(8), one Fe(1), one Co(1), and one Ni(3) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(5)Li3FeCoNi octahedra, edges with two equivalent O(13)Li3FeNi2 octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(6), one Li(9), one Co(1), one Ni(2), and one Ni(3) atom to form distorted OLi3CoNi2 pentagonal pyramids that share  an edgeedge with one O(6)Li3FeCo2 octahedra,  an edgeedge with one O(14)Li3FeCoNi octahedra,  an edgeedge with one O(5)Li3FeCoNi octahedra,  an edgeedge with one O(7)Li3FeCoNi octahedra,  an edgeedge with one O(9)Li3FeCoNi octahedra, and  an edgeedge with one O(13)Li3FeNi2 octahedra. In the ninth O site, O(9) is bonded to one Li(2), one Li(7), one Li(9), one Fe(2), one Co(2), and one Ni(1) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(6)Li3FeCo2 octahedra, edges with two equivalent O(14)Li3FeCoNi octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(5), one Li(9), one Fe(2), one Co(1), and one Ni(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(8), one Co(2), one Co(3), and one Ni(1) atom to form distorted OLi3Co2Ni pentagonal pyramids that share  an edgeedge with one O(6)Li3FeCo2 octahedra,  an edgeedge with one O(14)Li3FeCoNi octahedra,  an edgeedge with one O(5)Li3FeCoNi octahedra,  an edgeedge with one O(7)Li3FeCoNi octahedra,  an edgeedge with one O(9)Li3FeCoNi octahedra, and  an edgeedge with one O(13)Li3FeNi2 octahedra. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(7), one Li(8), one Fe(1), one Co(2), and one Ni(1) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Ni(2), and one Ni(3) atom to form OLi3FeNi2 octahedra that share edges with two equivalent O(5)Li3FeCoNi octahedra, edges with two equivalent O(7)Li3FeCoNi octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(6), one Li(7), one Fe(2), one Co(3), and one Ni(1) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(6)Li3FeCo2 octahedra, edges with two equivalent O(9)Li3FeCoNi octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the fifteenth O site, O(15) is bonded in a 7-coordinate geometry to one Li(4), one Li(5), one Li(6), one Li(9), one Fe(2), one Ni(2), and one Ni(3) atom. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(10), one Li(3), one Li(7), one Li(8), one Fe(1), one Co(3), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Fe2Co3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.832
_cell_length_b   5.912
_cell_length_c   9.580
_cell_angle_alpha   90.844
_cell_angle_beta   90.373
_cell_angle_gamma   119.244
_symmetry_Int_Tables_number   1
_cell_volume   288.158
_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  0.190  0.810  0.052  1.0
  Li  Li1  1  0.817  0.628  0.547  1.0
  Li  Li2  1  0.629  0.810  0.051  1.0
  Li  Li3  1  0.348  0.674  0.267  1.0
  Li  Li4  1  0.015  0.998  0.473  1.0
  Li  Li5  1  0.415  0.222  0.544  1.0
  Li  Li6  1  0.683  0.353  0.770  1.0
  Li  Li7  1  0.211  0.413  0.041  1.0
  Li  Li8  1  0.827  0.203  0.552  1.0
  Li  Li9  1  0.010  0.012  0.975  1.0
  Fe  Fe10  1  0.664  0.317  0.028  1.0
  Fe  Fe11  1  0.340  0.667  0.523  1.0
  Co  Co12  1  0.839  0.658  0.280  1.0
  Co  Co13  1  0.177  0.841  0.780  1.0
  Co  Co14  1  0.672  0.840  0.780  1.0
  Ni  Ni15  1  0.178  0.345  0.779  1.0
  Ni  Ni16  1  0.344  0.169  0.279  1.0
  Ni  Ni17  1  0.843  0.168  0.281  1.0
  O  O18  1  0.995  0.974  0.171  1.0
  O  O19  1  0.996  0.989  0.672  1.0
  O  O20  1  0.165  0.817  0.398  1.0
  O  O21  1  0.850  0.688  0.892  1.0
  O  O22  1  0.525  0.500  0.155  1.0
  O  O23  1  0.494  0.983  0.660  1.0
  O  O24  1  0.987  0.497  0.155  1.0
  O  O25  1  0.686  0.350  0.394  1.0
  O  O26  1  0.030  0.529  0.661  1.0
  O  O27  1  0.678  0.820  0.402  1.0
  O  O28  1  0.352  0.693  0.890  1.0
  O  O29  1  0.340  0.166  0.900  1.0
  O  O30  1  0.514  0.015  0.155  1.0
  O  O31  1  0.510  0.530  0.662  1.0
  O  O32  1  0.180  0.332  0.410  1.0
  O  O33  1  0.834  0.167  0.899  1.0
[/CIF]
.
The crystal structure described by Li10Fe2Co3Ni3O16 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(16), one O(4), and one O(5) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fifth Li site, Li(5) is bonded to one O(10), one O(15), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-63°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(14), one O(15), one O(2), one O(3), one O(6), and one O(8) atom. In the seventh Li site, Li(7) is bonded to one O(12), one O(14), one O(16), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(11), one O(12), one O(16), one O(5), and one O(7) atom. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(2), one O(6), one O(8), and one O(9) atom. In the tenth Li site, Li(10) is bonded to one O(1), one O(12), one O(16), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-63°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(13), one O(16), one O(4), one O(5), and one O(7) atom to form distorted FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. In the second Fe site, Fe(2) is bonded to one O(10), one O(14), one O(15), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Co site, Co(2) is bonded to one O(11), one O(12), one O(2), one O(4), one O(6), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Co site, Co(3) is bonded to one O(11), one O(14), one O(16), one O(2), one O(4), and one O(6) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(12), one O(14), one O(16), one O(2), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second Ni site, Ni(2) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(13), one O(15), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(3), one Co(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(5), one Li(6), one Li(9), one Co(2), one Co(3), and one Ni(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(5), one Li(6), one Fe(2), one Co(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(7), one Fe(1), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(8), one Fe(1), one Co(1), and one Ni(2) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(7)Li3FeCoNi octahedra, edges with two equivalent O(13)Li3FeNi2 octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the sixth O site, O(6) is bonded to one Li(6), one Li(7), one Li(9), one Fe(2), one Co(2), and one Co(3) atom to form OLi3FeCo2 octahedra that share edges with two equivalent O(14)Li3FeCoNi octahedra, edges with two equivalent O(9)Li3FeCoNi octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(8), one Fe(1), one Co(1), and one Ni(3) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(5)Li3FeCoNi octahedra, edges with two equivalent O(13)Li3FeNi2 octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(6), one Li(9), one Co(1), one Ni(2), and one Ni(3) atom to form distorted OLi3CoNi2 pentagonal pyramids that share  an edgeedge with one O(6)Li3FeCo2 octahedra,  an edgeedge with one O(14)Li3FeCoNi octahedra,  an edgeedge with one O(5)Li3FeCoNi octahedra,  an edgeedge with one O(7)Li3FeCoNi octahedra,  an edgeedge with one O(9)Li3FeCoNi octahedra, and  an edgeedge with one O(13)Li3FeNi2 octahedra. In the ninth O site, O(9) is bonded to one Li(2), one Li(7), one Li(9), one Fe(2), one Co(2), and one Ni(1) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(6)Li3FeCo2 octahedra, edges with two equivalent O(14)Li3FeCoNi octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(5), one Li(9), one Fe(2), one Co(1), and one Ni(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(8), one Co(2), one Co(3), and one Ni(1) atom to form distorted OLi3Co2Ni pentagonal pyramids that share  an edgeedge with one O(6)Li3FeCo2 octahedra,  an edgeedge with one O(14)Li3FeCoNi octahedra,  an edgeedge with one O(5)Li3FeCoNi octahedra,  an edgeedge with one O(7)Li3FeCoNi octahedra,  an edgeedge with one O(9)Li3FeCoNi octahedra, and  an edgeedge with one O(13)Li3FeNi2 octahedra. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(7), one Li(8), one Fe(1), one Co(2), and one Ni(1) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Ni(2), and one Ni(3) atom to form OLi3FeNi2 octahedra that share edges with two equivalent O(5)Li3FeCoNi octahedra, edges with two equivalent O(7)Li3FeCoNi octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(6), one Li(7), one Fe(2), one Co(3), and one Ni(1) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(6)Li3FeCo2 octahedra, edges with two equivalent O(9)Li3FeCoNi octahedra,  an edgeedge with one O(11)Li3Co2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3CoNi2 pentagonal pyramid. In the fifteenth O site, O(15) is bonded in a 7-coordinate geometry to one Li(4), one Li(5), one Li(6), one Li(9), one Fe(2), one Ni(2), and one Ni(3) atom. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(10), one Li(3), one Li(7), one Li(8), one Fe(1), one Co(3), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Fe2Co3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.832
_cell_length_b   5.912
_cell_length_c   9.580
_cell_angle_alpha   90.844
_cell_angle_beta   90.373
_cell_angle_gamma   119.244
_symmetry_Int_Tables_number   1
_cell_volume   288.158
_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  0.190  0.810  0.052  1.0
  Li  Li1  1  0.817  0.628  0.547  1.0
  Li  Li2  1  0.629  0.810  0.051  1.0
  Li  Li3  1  0.348  0.674  0.267  1.0
  Li  Li4  1  0.015  0.998  0.473  1.0
  Li  Li5  1  0.415  0.222  0.544  1.0
  Li  Li6  1  0.683  0.353  0.770  1.0
  Li  Li7  1  0.211  0.413  0.041  1.0
  Li  Li8  1  0.827  0.203  0.552  1.0
  Li  Li9  1  0.010  0.012  0.975  1.0
  Fe  Fe10  1  0.664  0.317  0.028  1.0
  Fe  Fe11  1  0.340  0.667  0.523  1.0
  Co  Co12  1  0.839  0.658  0.280  1.0
  Co  Co13  1  0.177  0.841  0.780  1.0
  Co  Co14  1  0.672  0.840  0.780  1.0
  Ni  Ni15  1  0.178  0.345  0.779  1.0
  Ni  Ni16  1  0.344  0.169  0.279  1.0
  Ni  Ni17  1  0.843  0.168  0.281  1.0
  O  O18  1  0.995  0.974  0.171  1.0
  O  O19  1  0.996  0.989  0.672  1.0
  O  O20  1  0.165  0.817  0.398  1.0
  O  O21  1  0.850  0.688  0.892  1.0
  O  O22  1  0.525  0.500  0.155  1.0
  O  O23  1  0.494  0.983  0.660  1.0
  O  O24  1  0.987  0.497  0.155  1.0
  O  O25  1  0.686  0.350  0.394  1.0
  O  O26  1  0.030  0.529  0.661  1.0
  O  O27  1  0.678  0.820  0.402  1.0
  O  O28  1  0.352  0.693  0.890  1.0
  O  O29  1  0.340  0.166  0.900  1.0
  O  O30  1  0.514  0.015  0.155  1.0
  O  O31  1  0.510  0.530  0.662  1.0
  O  O32  1  0.180  0.332  0.410  1.0
  O  O33  1  0.834  0.167  0.899  1.0
[/CIF]
.