The compound described by Li2FeNi3O8 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and corners with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Ni(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 59-67°. Fe(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ni(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 50-55°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-53°. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 54-55°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Ni(1), and one Ni(2) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Ni(1), and one Ni(3) atom. In the third O site, O(2) is bonded to one Li(1), one Fe(1), one Ni(1), and one Ni(2) atom to form distorted OLiFeNi2 tetrahedra that share  a cornercorner with one O(6)LiFeNi2 tetrahedra,  a cornercorner with one O(7)LiFeNi2 tetrahedra, corners with two equivalent O(4)LiNi3 tetrahedra,  an edgeedge with one O(6)LiFeNi2 tetrahedra, and  an edgeedge with one O(7)LiFeNi2 tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Ni(3) atom. In the fifth O site, O(4) is bonded to one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted corner-sharing OLiNi3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Ni(2), and one Ni(3) atom. In the seventh O site, O(6) is bonded to one Li(1), one Fe(1), one Ni(1), and one Ni(3) atom to form distorted OLiFeNi2 tetrahedra that share  a cornercorner with one O(2)LiFeNi2 tetrahedra,  a cornercorner with one O(7)LiFeNi2 tetrahedra, corners with two equivalent O(4)LiNi3 tetrahedra,  an edgeedge with one O(2)LiFeNi2 tetrahedra, and  an edgeedge with one O(7)LiFeNi2 tetrahedra. In the eighth O site, O(7) is bonded to one Li(1), one Fe(1), one Ni(2), and one Ni(3) atom to form distorted OLiFeNi2 tetrahedra that share  a cornercorner with one O(2)LiFeNi2 tetrahedra,  a cornercorner with one O(6)LiFeNi2 tetrahedra, corners with two equivalent O(4)LiNi3 tetrahedra,  an edgeedge with one O(2)LiFeNi2 tetrahedra, and  an edgeedge with one O(6)LiFeNi2 tetrahedra. is represented by the CIF card [CIF]
data_Li2FeNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.641
_cell_length_c   9.292
_cell_angle_alpha   90.422
_cell_angle_beta   89.792
_cell_angle_gamma   119.518
_symmetry_Int_Tables_number   1
_cell_volume   261.101
_cell_formula_units_Z   2
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  0.332  0.665  0.893  1.0
  Li  Li1  1  0.996  0.999  0.998  1.0
  Li  Li2  1  0.004  0.003  0.498  1.0
  Li  Li3  1  0.668  0.333  0.393  1.0
  Fe  Fe4  1  0.329  0.662  0.493  1.0
  Fe  Fe5  1  0.671  0.333  0.993  1.0
  Ni  Ni6  1  0.170  0.832  0.213  1.0
  Ni  Ni7  1  0.170  0.339  0.214  1.0
  Ni  Ni8  1  0.661  0.829  0.216  1.0
  Ni  Ni9  1  0.339  0.168  0.716  1.0
  Ni  Ni10  1  0.830  0.662  0.713  1.0
  Ni  Ni11  1  0.830  0.170  0.714  1.0
  O  O12  1  0.157  0.838  0.605  1.0
  O  O13  1  0.035  0.521  0.331  1.0
  O  O14  1  0.314  0.656  0.105  1.0
  O  O15  1  0.021  0.012  0.312  1.0
  O  O16  1  0.979  0.991  0.812  1.0
  O  O17  1  0.152  0.322  0.604  1.0
  O  O18  1  0.479  0.963  0.332  1.0
  O  O19  1  0.472  0.507  0.336  1.0
  O  O20  1  0.320  0.159  0.102  1.0
  O  O21  1  0.680  0.839  0.602  1.0
  O  O22  1  0.521  0.484  0.832  1.0
  O  O23  1  0.528  0.035  0.836  1.0
  O  O24  1  0.686  0.341  0.605  1.0
  O  O25  1  0.843  0.681  0.105  1.0
  O  O26  1  0.965  0.486  0.831  1.0
  O  O27  1  0.848  0.170  0.104  1.0
[/CIF]
.
The compound described by Li2FeNi3O8 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and corners with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Ni(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 59-67°. Fe(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ni(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 50-55°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-53°. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 54-55°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Ni(1), and one Ni(2) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Ni(1), and one Ni(3) atom. In the third O site, O(2) is bonded to one Li(1), one Fe(1), one Ni(1), and one Ni(2) atom to form distorted OLiFeNi2 tetrahedra that share  a cornercorner with one O(6)LiFeNi2 tetrahedra,  a cornercorner with one O(7)LiFeNi2 tetrahedra, corners with two equivalent O(4)LiNi3 tetrahedra,  an edgeedge with one O(6)LiFeNi2 tetrahedra, and  an edgeedge with one O(7)LiFeNi2 tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Ni(3) atom. In the fifth O site, O(4) is bonded to one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted corner-sharing OLiNi3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Ni(2), and one Ni(3) atom. In the seventh O site, O(6) is bonded to one Li(1), one Fe(1), one Ni(1), and one Ni(3) atom to form distorted OLiFeNi2 tetrahedra that share  a cornercorner with one O(2)LiFeNi2 tetrahedra,  a cornercorner with one O(7)LiFeNi2 tetrahedra, corners with two equivalent O(4)LiNi3 tetrahedra,  an edgeedge with one O(2)LiFeNi2 tetrahedra, and  an edgeedge with one O(7)LiFeNi2 tetrahedra. In the eighth O site, O(7) is bonded to one Li(1), one Fe(1), one Ni(2), and one Ni(3) atom to form distorted OLiFeNi2 tetrahedra that share  a cornercorner with one O(2)LiFeNi2 tetrahedra,  a cornercorner with one O(6)LiFeNi2 tetrahedra, corners with two equivalent O(4)LiNi3 tetrahedra,  an edgeedge with one O(2)LiFeNi2 tetrahedra, and  an edgeedge with one O(6)LiFeNi2 tetrahedra. is represented by the CIF card [CIF]
data_Li2FeNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.641
_cell_length_c   9.292
_cell_angle_alpha   90.422
_cell_angle_beta   89.792
_cell_angle_gamma   119.518
_symmetry_Int_Tables_number   1
_cell_volume   261.101
_cell_formula_units_Z   2
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  0.332  0.665  0.893  1.0
  Li  Li1  1  0.996  0.999  0.998  1.0
  Li  Li2  1  0.004  0.003  0.498  1.0
  Li  Li3  1  0.668  0.333  0.393  1.0
  Fe  Fe4  1  0.329  0.662  0.493  1.0
  Fe  Fe5  1  0.671  0.333  0.993  1.0
  Ni  Ni6  1  0.170  0.832  0.213  1.0
  Ni  Ni7  1  0.170  0.339  0.214  1.0
  Ni  Ni8  1  0.661  0.829  0.216  1.0
  Ni  Ni9  1  0.339  0.168  0.716  1.0
  Ni  Ni10  1  0.830  0.662  0.713  1.0
  Ni  Ni11  1  0.830  0.170  0.714  1.0
  O  O12  1  0.157  0.838  0.605  1.0
  O  O13  1  0.035  0.521  0.331  1.0
  O  O14  1  0.314  0.656  0.105  1.0
  O  O15  1  0.021  0.012  0.312  1.0
  O  O16  1  0.979  0.991  0.812  1.0
  O  O17  1  0.152  0.322  0.604  1.0
  O  O18  1  0.479  0.963  0.332  1.0
  O  O19  1  0.472  0.507  0.336  1.0
  O  O20  1  0.320  0.159  0.102  1.0
  O  O21  1  0.680  0.839  0.602  1.0
  O  O22  1  0.521  0.484  0.832  1.0
  O  O23  1  0.528  0.035  0.836  1.0
  O  O24  1  0.686  0.341  0.605  1.0
  O  O25  1  0.843  0.681  0.105  1.0
  O  O26  1  0.965  0.486  0.831  1.0
  O  O27  1  0.848  0.170  0.104  1.0
[/CIF]
.