The compound described by Li10Cr3Fe3(NiO8)2 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(12), one O(14), one O(15), one O(3), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-62°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-62°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(16), one O(3), one O(6), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(11), one O(12), one O(15), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(3), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(13), one O(2), one O(5), and one O(8) atom. In the eighth Li site, Li(8) is bonded to one O(14), one O(16), one O(2), one O(4), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the ninth Li site, Li(9) 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 tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(5), and one O(7) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Cr site, Cr(2) is bonded to one O(16), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form distorted NiO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. In the second Ni site, Ni(2) 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 distorted NiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), one Li(7), one Li(9), one Cr(3), one Fe(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(10), one Li(7), one Li(8), one Cr(1), one Cr(2), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share edges with two equivalent O(4)Li3CrFeNi octahedra, edges with two equivalent O(8)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(6), one Cr(1), one Cr(2), and one Fe(1) atom to form distorted OLi3Cr2Fe pentagonal pyramids that share  an edgeedge with one O(2)Li3Cr2Ni octahedra,  an edgeedge with one O(11)Li3CrFeNi octahedra,  an edgeedge with one O(12)Li3CrFeNi octahedra,  an edgeedge with one O(4)Li3CrFeNi octahedra,  an edgeedge with one O(8)Li3CrFeNi octahedra, and  an edgeedge with one O(15)Li3Fe2Ni octahedra. In the fourth O site, O(4) is bonded to one Li(10), one Li(8), one Li(9), one Cr(1), one Fe(1), and one Ni(1) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(2)Li3Cr2Ni octahedra, edges with two equivalent O(8)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(3), one Li(7), one Li(9), one Cr(1), one Cr(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), one Cr(3), one Fe(2), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(10), one Li(3), one Li(5), one Li(9), one Cr(3), one Fe(3), and one Ni(1) atom. In the eighth O site, O(8) is bonded to one Li(7), one Li(8), one Li(9), one Cr(2), one Fe(1), and one Ni(1) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(2)Li3Cr2Ni octahedra, edges with two equivalent O(4)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(8), one Cr(1), one Cr(2), and one Ni(2) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(10), one Li(3), one Li(5), one Li(7), one Fe(2), one Fe(3), and one Ni(1) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Cr(3), one Fe(2), and one Ni(2) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(12)Li3CrFeNi octahedra, edges with two equivalent O(15)Li3Fe2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Li(5), one Li(6), one Cr(3), one Fe(3), and one Ni(2) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(11)Li3CrFeNi octahedra, edges with two equivalent O(15)Li3Fe2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(7), one Li(9), one Cr(3), one Fe(2), and one Fe(3) atom to form distorted OLi3CrFe2 pentagonal pyramids that share  an edgeedge with one O(2)Li3Cr2Ni octahedra,  an edgeedge with one O(11)Li3CrFeNi octahedra,  an edgeedge with one O(12)Li3CrFeNi octahedra,  an edgeedge with one O(4)Li3CrFeNi octahedra,  an edgeedge with one O(8)Li3CrFeNi octahedra, and  an edgeedge with one O(15)Li3Fe2Ni octahedra. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(6), one Li(8), one Cr(1), one Fe(1), and one Ni(2) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(4), one Li(5), one Fe(2), one Fe(3), and one Ni(2) atom to form OLi3Fe2Ni octahedra that share edges with two equivalent O(11)Li3CrFeNi octahedra, edges with two equivalent O(12)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(6), one Li(8), one Cr(2), one Fe(1), and one Ni(2) atom. is represented by the CIF file [CIF]
data_Li10Cr3Fe3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.978
_cell_length_b   5.979
_cell_length_c   9.862
_cell_angle_alpha   90.006
_cell_angle_beta   90.224
_cell_angle_gamma   119.736
_symmetry_Int_Tables_number   1
_cell_volume   306.088
_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  0.792  0.184  0.940  1.0
  Li  Li1  1  0.987  0.983  0.015  1.0
  Li  Li2  1  0.983  0.988  0.515  1.0
  Li  Li3  1  0.787  0.591  0.942  1.0
  Li  Li4  1  0.649  0.324  0.715  1.0
  Li  Li5  1  0.381  0.189  0.941  1.0
  Li  Li6  1  0.190  0.381  0.440  1.0
  Li  Li7  1  0.324  0.649  0.216  1.0
  Li  Li8  1  0.592  0.784  0.442  1.0
  Li  Li9  1  0.186  0.791  0.440  1.0
  Cr  Cr10  1  0.821  0.151  0.215  1.0
  Cr  Cr11  1  0.821  0.647  0.215  1.0
  Cr  Cr12  1  0.647  0.821  0.715  1.0
  Fe  Fe13  1  0.327  0.152  0.215  1.0
  Fe  Fe14  1  0.152  0.327  0.715  1.0
  Fe  Fe15  1  0.152  0.821  0.715  1.0
  Ni  Ni16  1  0.656  0.319  0.470  1.0
  Ni  Ni17  1  0.319  0.655  0.971  1.0
  O  O18  1  0.820  0.149  0.598  1.0
  O  O19  1  0.971  0.474  0.333  1.0
  O  O20  1  0.657  0.318  0.099  1.0
  O  O21  1  0.499  0.001  0.333  1.0
  O  O22  1  0.987  0.982  0.326  1.0
  O  O23  1  0.981  0.989  0.827  1.0
  O  O24  1  0.820  0.666  0.598  1.0
  O  O25  1  0.498  0.477  0.332  1.0
  O  O26  1  0.666  0.822  0.098  1.0
  O  O27  1  0.306  0.150  0.596  1.0
  O  O28  1  0.477  0.499  0.833  1.0
  O  O29  1  0.476  0.972  0.834  1.0
  O  O30  1  0.319  0.656  0.597  1.0
  O  O31  1  0.149  0.306  0.097  1.0
  O  O32  1  0.001  0.498  0.834  1.0
  O  O33  1  0.148  0.820  0.098  1.0
[/CIF]
.
The compound described by Li10Cr3Fe3(NiO8)2 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(12), one O(14), one O(15), one O(3), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-62°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-62°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(16), one O(3), one O(6), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(11), one O(12), one O(15), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(3), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(13), one O(2), one O(5), and one O(8) atom. In the eighth Li site, Li(8) is bonded to one O(14), one O(16), one O(2), one O(4), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the ninth Li site, Li(9) 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 tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(5), and one O(7) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Cr site, Cr(2) is bonded to one O(16), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form distorted NiO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. In the second Ni site, Ni(2) 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 distorted NiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), one Li(7), one Li(9), one Cr(3), one Fe(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(10), one Li(7), one Li(8), one Cr(1), one Cr(2), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share edges with two equivalent O(4)Li3CrFeNi octahedra, edges with two equivalent O(8)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(6), one Cr(1), one Cr(2), and one Fe(1) atom to form distorted OLi3Cr2Fe pentagonal pyramids that share  an edgeedge with one O(2)Li3Cr2Ni octahedra,  an edgeedge with one O(11)Li3CrFeNi octahedra,  an edgeedge with one O(12)Li3CrFeNi octahedra,  an edgeedge with one O(4)Li3CrFeNi octahedra,  an edgeedge with one O(8)Li3CrFeNi octahedra, and  an edgeedge with one O(15)Li3Fe2Ni octahedra. In the fourth O site, O(4) is bonded to one Li(10), one Li(8), one Li(9), one Cr(1), one Fe(1), and one Ni(1) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(2)Li3Cr2Ni octahedra, edges with two equivalent O(8)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(3), one Li(7), one Li(9), one Cr(1), one Cr(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), one Cr(3), one Fe(2), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(10), one Li(3), one Li(5), one Li(9), one Cr(3), one Fe(3), and one Ni(1) atom. In the eighth O site, O(8) is bonded to one Li(7), one Li(8), one Li(9), one Cr(2), one Fe(1), and one Ni(1) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(2)Li3Cr2Ni octahedra, edges with two equivalent O(4)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(8), one Cr(1), one Cr(2), and one Ni(2) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(10), one Li(3), one Li(5), one Li(7), one Fe(2), one Fe(3), and one Ni(1) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Cr(3), one Fe(2), and one Ni(2) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(12)Li3CrFeNi octahedra, edges with two equivalent O(15)Li3Fe2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Li(5), one Li(6), one Cr(3), one Fe(3), and one Ni(2) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(11)Li3CrFeNi octahedra, edges with two equivalent O(15)Li3Fe2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(7), one Li(9), one Cr(3), one Fe(2), and one Fe(3) atom to form distorted OLi3CrFe2 pentagonal pyramids that share  an edgeedge with one O(2)Li3Cr2Ni octahedra,  an edgeedge with one O(11)Li3CrFeNi octahedra,  an edgeedge with one O(12)Li3CrFeNi octahedra,  an edgeedge with one O(4)Li3CrFeNi octahedra,  an edgeedge with one O(8)Li3CrFeNi octahedra, and  an edgeedge with one O(15)Li3Fe2Ni octahedra. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(6), one Li(8), one Cr(1), one Fe(1), and one Ni(2) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(4), one Li(5), one Fe(2), one Fe(3), and one Ni(2) atom to form OLi3Fe2Ni octahedra that share edges with two equivalent O(11)Li3CrFeNi octahedra, edges with two equivalent O(12)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(13)Li3CrFe2 pentagonal pyramid. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(6), one Li(8), one Cr(2), one Fe(1), and one Ni(2) atom. is represented by the CIF file [CIF]
data_Li10Cr3Fe3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.978
_cell_length_b   5.979
_cell_length_c   9.862
_cell_angle_alpha   90.006
_cell_angle_beta   90.224
_cell_angle_gamma   119.736
_symmetry_Int_Tables_number   1
_cell_volume   306.088
_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  0.792  0.184  0.940  1.0
  Li  Li1  1  0.987  0.983  0.015  1.0
  Li  Li2  1  0.983  0.988  0.515  1.0
  Li  Li3  1  0.787  0.591  0.942  1.0
  Li  Li4  1  0.649  0.324  0.715  1.0
  Li  Li5  1  0.381  0.189  0.941  1.0
  Li  Li6  1  0.190  0.381  0.440  1.0
  Li  Li7  1  0.324  0.649  0.216  1.0
  Li  Li8  1  0.592  0.784  0.442  1.0
  Li  Li9  1  0.186  0.791  0.440  1.0
  Cr  Cr10  1  0.821  0.151  0.215  1.0
  Cr  Cr11  1  0.821  0.647  0.215  1.0
  Cr  Cr12  1  0.647  0.821  0.715  1.0
  Fe  Fe13  1  0.327  0.152  0.215  1.0
  Fe  Fe14  1  0.152  0.327  0.715  1.0
  Fe  Fe15  1  0.152  0.821  0.715  1.0
  Ni  Ni16  1  0.656  0.319  0.470  1.0
  Ni  Ni17  1  0.319  0.655  0.971  1.0
  O  O18  1  0.820  0.149  0.598  1.0
  O  O19  1  0.971  0.474  0.333  1.0
  O  O20  1  0.657  0.318  0.099  1.0
  O  O21  1  0.499  0.001  0.333  1.0
  O  O22  1  0.987  0.982  0.326  1.0
  O  O23  1  0.981  0.989  0.827  1.0
  O  O24  1  0.820  0.666  0.598  1.0
  O  O25  1  0.498  0.477  0.332  1.0
  O  O26  1  0.666  0.822  0.098  1.0
  O  O27  1  0.306  0.150  0.596  1.0
  O  O28  1  0.477  0.499  0.833  1.0
  O  O29  1  0.476  0.972  0.834  1.0
  O  O30  1  0.319  0.656  0.597  1.0
  O  O31  1  0.149  0.306  0.097  1.0
  O  O32  1  0.001  0.498  0.834  1.0
  O  O33  1  0.148  0.820  0.098  1.0
[/CIF]
.