The material described by Li10Fe3Co2Ni3O16 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(11), one O(15), one O(16), one O(2), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(15), one O(2), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), one O(15), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Li(9)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(2), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(13), one O(3), one O(4), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(1), one O(13), one O(4), one O(5), one O(7), and one O(8) atom. In the seventh Li site, Li(7) is bonded to one O(14), one O(16), one O(3), one O(5), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(13), one O(3), one O(5), and one O(7) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-63°. In the tenth Li site, Li(10) is bonded to one O(14), one O(16), one O(2), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-58°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(13), one O(2), one O(4), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-47°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(13), one O(15), one O(2), and one O(4) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the third Fe site, Fe(3) is bonded to one O(1), one O(14), one O(3), one O(5), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(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 3-50°. In the second Co site, Co(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-51°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(16), one O(3), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Ni site, Ni(2) is bonded to one O(1), one O(14), one O(16), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(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 range from 49-50°. In the third Ni site, Ni(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Co(1)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  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(5), one Li(6), one Li(8), one Li(9), one Fe(3), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(4), one Fe(1), one Fe(2), and one Ni(3) atom. In the third O site, O(3) is bonded to one Li(5), one Li(7), one Li(8), one Fe(3), one Co(2), and one Ni(1) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(8)Li3CoNi2 octahedra, edges with two equivalent O(5)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), one Li(6), one Li(9), one Fe(1), one Fe(2), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Li(6), one Li(7), one Li(8), one Fe(3), one Co(2), and one Ni(2) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(8)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Fe(3), one Ni(1), and one Ni(2) atom to form distorted OLi3FeNi2 pentagonal pyramids that share  an edgeedge with one O(8)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3FeCoNi octahedra,  an edgeedge with one O(15)Li3FeCoNi octahedra,  an edgeedge with one O(3)Li3FeCoNi octahedra, and  an edgeedge with one O(5)Li3FeCoNi octahedra. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(3), one Li(6), one Li(8), one Li(9), one Fe(1), one Co(2), and one Ni(3) atom. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one Li(7), one Co(2), one Ni(1), and one Ni(2) atom to form distorted OLi3CoNi2 octahedra that share edges with two equivalent O(3)Li3FeCoNi octahedra, edges with two equivalent O(5)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(7), one Fe(3), one Co(1), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), one Li(8), one Li(9), one Fe(2), one Co(2), and one Ni(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share edges with two equivalent O(12)Li3FeCoNi octahedra, edges with two equivalent O(15)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(4), one Fe(1), one Co(1), and one Ni(3) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(15)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(5), one Li(6), one Li(8), one Fe(1), one Fe(2), and one Ni(3) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share  an edgeedge with one O(8)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3FeCoNi octahedra,  an edgeedge with one O(15)Li3FeCoNi octahedra,  an edgeedge with one O(3)Li3FeCoNi octahedra, and  an edgeedge with one O(5)Li3FeCoNi octahedra. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(7), one Fe(3), one Co(1), and one Ni(2) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(2), one Li(3), one Fe(2), one Co(1), and one Ni(3) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(12)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(4), one Li(7), one Co(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Fe3Co2Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.897
_cell_length_b   5.905
_cell_length_c   9.667
_cell_angle_alpha   90.306
_cell_angle_beta   89.946
_cell_angle_gamma   119.745
_symmetry_Int_Tables_number   1
_cell_volume   292.307
_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  0.809  0.195  0.551  1.0
  Li  Li1  1  0.403  0.208  0.553  1.0
  Li  Li2  1  0.685  0.356  0.783  1.0
  Li  Li3  1  0.809  0.624  0.551  1.0
  Li  Li4  1  0.190  0.809  0.058  1.0
  Li  Li5  1  0.206  0.414  0.051  1.0
  Li  Li6  1  0.357  0.681  0.283  1.0
  Li  Li7  1  0.621  0.814  0.049  1.0
  Li  Li8  1  0.016  0.023  0.988  1.0
  Li  Li9  1  0.017  0.013  0.481  1.0
  Fe  Fe10  1  0.183  0.356  0.783  1.0
  Fe  Fe11  1  0.184  0.848  0.785  1.0
  Fe  Fe12  1  0.359  0.185  0.283  1.0
  Co  Co13  1  0.350  0.681  0.529  1.0
  Co  Co14  1  0.685  0.350  0.031  1.0
  Ni  Ni15  1  0.846  0.181  0.286  1.0
  Ni  Ni16  1  0.845  0.671  0.287  1.0
  Ni  Ni17  1  0.675  0.848  0.787  1.0
  O  O18  1  0.020  0.010  0.180  1.0
  O  O19  1  0.019  0.018  0.675  1.0
  O  O20  1  0.525  0.040  0.152  1.0
  O  O21  1  0.354  0.189  0.906  1.0
  O  O22  1  0.523  0.496  0.155  1.0
  O  O23  1  0.677  0.343  0.403  1.0
  O  O24  1  0.854  0.197  0.911  1.0
  O  O25  1  0.981  0.494  0.157  1.0
  O  O26  1  0.196  0.355  0.410  1.0
  O  O27  1  0.854  0.682  0.915  1.0
  O  O28  1  0.037  0.527  0.655  1.0
  O  O29  1  0.496  0.524  0.656  1.0
  O  O30  1  0.340  0.681  0.905  1.0
  O  O31  1  0.197  0.849  0.410  1.0
  O  O32  1  0.494  0.984  0.656  1.0
  O  O33  1  0.674  0.841  0.417  1.0
[/CIF]
.
The material described by Li10Fe3Co2Ni3O16 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(11), one O(15), one O(16), one O(2), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(15), one O(2), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), one O(15), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Li(9)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(2), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(13), one O(3), one O(4), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(1), one O(13), one O(4), one O(5), one O(7), and one O(8) atom. In the seventh Li site, Li(7) is bonded to one O(14), one O(16), one O(3), one O(5), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(13), one O(3), one O(5), and one O(7) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-63°. In the tenth Li site, Li(10) is bonded to one O(14), one O(16), one O(2), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-58°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(13), one O(2), one O(4), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-47°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(13), one O(15), one O(2), and one O(4) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the third Fe site, Fe(3) is bonded to one O(1), one O(14), one O(3), one O(5), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(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 3-50°. In the second Co site, Co(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-51°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(16), one O(3), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Ni site, Ni(2) is bonded to one O(1), one O(14), one O(16), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(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 range from 49-50°. In the third Ni site, Ni(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Co(1)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  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(5), one Li(6), one Li(8), one Li(9), one Fe(3), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(4), one Fe(1), one Fe(2), and one Ni(3) atom. In the third O site, O(3) is bonded to one Li(5), one Li(7), one Li(8), one Fe(3), one Co(2), and one Ni(1) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(8)Li3CoNi2 octahedra, edges with two equivalent O(5)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), one Li(6), one Li(9), one Fe(1), one Fe(2), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Li(6), one Li(7), one Li(8), one Fe(3), one Co(2), and one Ni(2) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(8)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Fe(3), one Ni(1), and one Ni(2) atom to form distorted OLi3FeNi2 pentagonal pyramids that share  an edgeedge with one O(8)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3FeCoNi octahedra,  an edgeedge with one O(15)Li3FeCoNi octahedra,  an edgeedge with one O(3)Li3FeCoNi octahedra, and  an edgeedge with one O(5)Li3FeCoNi octahedra. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(3), one Li(6), one Li(8), one Li(9), one Fe(1), one Co(2), and one Ni(3) atom. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one Li(7), one Co(2), one Ni(1), and one Ni(2) atom to form distorted OLi3CoNi2 octahedra that share edges with two equivalent O(3)Li3FeCoNi octahedra, edges with two equivalent O(5)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(7), one Fe(3), one Co(1), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), one Li(8), one Li(9), one Fe(2), one Co(2), and one Ni(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share edges with two equivalent O(12)Li3FeCoNi octahedra, edges with two equivalent O(15)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(4), one Fe(1), one Co(1), and one Ni(3) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(15)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(5), one Li(6), one Li(8), one Fe(1), one Fe(2), and one Ni(3) atom to form distorted OLi3Fe2Ni pentagonal pyramids that share  an edgeedge with one O(8)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3FeCoNi octahedra,  an edgeedge with one O(15)Li3FeCoNi octahedra,  an edgeedge with one O(3)Li3FeCoNi octahedra, and  an edgeedge with one O(5)Li3FeCoNi octahedra. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(7), one Fe(3), one Co(1), and one Ni(2) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(2), one Li(3), one Fe(2), one Co(1), and one Ni(3) atom to form OLi3FeCoNi octahedra that share edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(12)Li3FeCoNi octahedra,  an edgeedge with one O(13)Li3Fe2Ni pentagonal pyramid, and  an edgeedge with one O(6)Li3FeNi2 pentagonal pyramid. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(4), one Li(7), one Co(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Fe3Co2Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.897
_cell_length_b   5.905
_cell_length_c   9.667
_cell_angle_alpha   90.306
_cell_angle_beta   89.946
_cell_angle_gamma   119.745
_symmetry_Int_Tables_number   1
_cell_volume   292.307
_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  0.809  0.195  0.551  1.0
  Li  Li1  1  0.403  0.208  0.553  1.0
  Li  Li2  1  0.685  0.356  0.783  1.0
  Li  Li3  1  0.809  0.624  0.551  1.0
  Li  Li4  1  0.190  0.809  0.058  1.0
  Li  Li5  1  0.206  0.414  0.051  1.0
  Li  Li6  1  0.357  0.681  0.283  1.0
  Li  Li7  1  0.621  0.814  0.049  1.0
  Li  Li8  1  0.016  0.023  0.988  1.0
  Li  Li9  1  0.017  0.013  0.481  1.0
  Fe  Fe10  1  0.183  0.356  0.783  1.0
  Fe  Fe11  1  0.184  0.848  0.785  1.0
  Fe  Fe12  1  0.359  0.185  0.283  1.0
  Co  Co13  1  0.350  0.681  0.529  1.0
  Co  Co14  1  0.685  0.350  0.031  1.0
  Ni  Ni15  1  0.846  0.181  0.286  1.0
  Ni  Ni16  1  0.845  0.671  0.287  1.0
  Ni  Ni17  1  0.675  0.848  0.787  1.0
  O  O18  1  0.020  0.010  0.180  1.0
  O  O19  1  0.019  0.018  0.675  1.0
  O  O20  1  0.525  0.040  0.152  1.0
  O  O21  1  0.354  0.189  0.906  1.0
  O  O22  1  0.523  0.496  0.155  1.0
  O  O23  1  0.677  0.343  0.403  1.0
  O  O24  1  0.854  0.197  0.911  1.0
  O  O25  1  0.981  0.494  0.157  1.0
  O  O26  1  0.196  0.355  0.410  1.0
  O  O27  1  0.854  0.682  0.915  1.0
  O  O28  1  0.037  0.527  0.655  1.0
  O  O29  1  0.496  0.524  0.656  1.0
  O  O30  1  0.340  0.681  0.905  1.0
  O  O31  1  0.197  0.849  0.410  1.0
  O  O32  1  0.494  0.984  0.656  1.0
  O  O33  1  0.674  0.841  0.417  1.0
[/CIF]
.