The material described by Li4Fe2Ni3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2FeNi3 octahedra that share  a cornercorner with one O(1)Li2FeNi3 octahedra,  a cornercorner with one O(3)Li2FeNi3 octahedra,  a cornercorner with one O(5)Li2FeNi2 square pyramid,  a cornercorner with one O(2)Li3Fe2 square pyramid, corners with two equivalent O(4)Li3FeNi square pyramids,  an edgeedge with one O(1)Li2FeNi3 octahedra, edges with four equivalent O(3)Li2FeNi3 octahedra, edges with two equivalent O(2)Li3Fe2 square pyramids, edges with two equivalent O(4)Li3FeNi square pyramids, and edges with three equivalent O(5)Li2FeNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), and two equivalent Fe(1) atoms to form OLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li2FeNi3 octahedra, corners with two equivalent O(3)Li2FeNi3 octahedra, corners with three equivalent O(5)Li2FeNi2 square pyramids, corners with three equivalent O(4)Li3FeNi square pyramids,  an edgeedge with one O(3)Li2FeNi3 octahedra, edges with two equivalent O(1)Li2FeNi3 octahedra,  an edgeedge with one O(5)Li2FeNi2 square pyramid, edges with two equivalent O(2)Li3Fe2 square pyramids, and edges with two equivalent O(4)Li3FeNi square pyramids. The corner-sharing octahedral tilt angles range from 3-10°. In the third O site, O(3) is bonded to two equivalent Li(2), one Fe(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2FeNi3 octahedra that share  a cornercorner with one O(1)Li2FeNi3 octahedra,  a cornercorner with one O(3)Li2FeNi3 octahedra,  a cornercorner with one O(5)Li2FeNi2 square pyramid,  a cornercorner with one O(4)Li3FeNi square pyramid, corners with two equivalent O(2)Li3Fe2 square pyramids, edges with two equivalent O(3)Li2FeNi3 octahedra, edges with four equivalent O(1)Li2FeNi3 octahedra,  an edgeedge with one O(2)Li3Fe2 square pyramid, edges with two equivalent O(4)Li3FeNi square pyramids, and edges with three equivalent O(5)Li2FeNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one Fe(1), and one Ni(2) atom to form OLi3FeNi square pyramids that share  a cornercorner with one O(3)Li2FeNi3 octahedra, corners with two equivalent O(1)Li2FeNi3 octahedra, corners with three equivalent O(5)Li2FeNi2 square pyramids, corners with three equivalent O(2)Li3Fe2 square pyramids, edges with two equivalent O(1)Li2FeNi3 octahedra, edges with two equivalent O(3)Li2FeNi3 octahedra,  an edgeedge with one O(5)Li2FeNi2 square pyramid,  an edgeedge with one O(4)Li3FeNi square pyramid, and edges with two equivalent O(2)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 2-13°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Fe(1), one Ni(1), and one Ni(2) atom to form OLi2FeNi2 square pyramids that share  a cornercorner with one O(1)Li2FeNi3 octahedra,  a cornercorner with one O(3)Li2FeNi3 octahedra,  a cornercorner with one O(5)Li2FeNi2 square pyramid, corners with three equivalent O(2)Li3Fe2 square pyramids, corners with three equivalent O(4)Li3FeNi square pyramids, edges with three equivalent O(1)Li2FeNi3 octahedra, edges with three equivalent O(3)Li2FeNi3 octahedra,  an edgeedge with one O(2)Li3Fe2 square pyramid, and  an edgeedge with one O(4)Li3FeNi square pyramid. The corner-sharing octahedral tilt angles range from 7-15°. is represented by the CIF card [CIF]
data_Li4Fe2Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.042
_cell_length_b   5.082
_cell_length_c   7.767
_cell_angle_alpha   102.837
_cell_angle_beta   108.340
_cell_angle_gamma   99.315
_symmetry_Int_Tables_number   1
_cell_volume   178.310
_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  0.076  0.770  0.587  1.0
  Li  Li1  1  0.699  0.600  0.217  1.0
  Li  Li2  1  0.301  0.400  0.783  1.0
  Li  Li3  1  0.924  0.230  0.413  1.0
  Fe  Fe4  1  0.303  0.897  0.313  1.0
  Fe  Fe5  1  0.697  0.103  0.687  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.099  0.300  0.098  1.0
  Ni  Ni8  1  0.901  0.700  0.902  1.0
  O  O9  1  0.898  0.941  0.137  1.0
  O  O10  1  0.697  0.889  0.447  1.0
  O  O11  1  0.282  0.670  0.046  1.0
  O  O12  1  0.091  0.542  0.320  1.0
  O  O13  1  0.539  0.777  0.781  1.0
  O  O14  1  0.461  0.223  0.219  1.0
  O  O15  1  0.909  0.458  0.680  1.0
  O  O16  1  0.718  0.330  0.954  1.0
  O  O17  1  0.303  0.111  0.553  1.0
  O  O18  1  0.102  0.059  0.863  1.0
[/CIF]
.
The material described by Li4Fe2Ni3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2FeNi3 octahedra that share  a cornercorner with one O(1)Li2FeNi3 octahedra,  a cornercorner with one O(3)Li2FeNi3 octahedra,  a cornercorner with one O(5)Li2FeNi2 square pyramid,  a cornercorner with one O(2)Li3Fe2 square pyramid, corners with two equivalent O(4)Li3FeNi square pyramids,  an edgeedge with one O(1)Li2FeNi3 octahedra, edges with four equivalent O(3)Li2FeNi3 octahedra, edges with two equivalent O(2)Li3Fe2 square pyramids, edges with two equivalent O(4)Li3FeNi square pyramids, and edges with three equivalent O(5)Li2FeNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), and two equivalent Fe(1) atoms to form OLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li2FeNi3 octahedra, corners with two equivalent O(3)Li2FeNi3 octahedra, corners with three equivalent O(5)Li2FeNi2 square pyramids, corners with three equivalent O(4)Li3FeNi square pyramids,  an edgeedge with one O(3)Li2FeNi3 octahedra, edges with two equivalent O(1)Li2FeNi3 octahedra,  an edgeedge with one O(5)Li2FeNi2 square pyramid, edges with two equivalent O(2)Li3Fe2 square pyramids, and edges with two equivalent O(4)Li3FeNi square pyramids. The corner-sharing octahedral tilt angles range from 3-10°. In the third O site, O(3) is bonded to two equivalent Li(2), one Fe(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2FeNi3 octahedra that share  a cornercorner with one O(1)Li2FeNi3 octahedra,  a cornercorner with one O(3)Li2FeNi3 octahedra,  a cornercorner with one O(5)Li2FeNi2 square pyramid,  a cornercorner with one O(4)Li3FeNi square pyramid, corners with two equivalent O(2)Li3Fe2 square pyramids, edges with two equivalent O(3)Li2FeNi3 octahedra, edges with four equivalent O(1)Li2FeNi3 octahedra,  an edgeedge with one O(2)Li3Fe2 square pyramid, edges with two equivalent O(4)Li3FeNi square pyramids, and edges with three equivalent O(5)Li2FeNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one Fe(1), and one Ni(2) atom to form OLi3FeNi square pyramids that share  a cornercorner with one O(3)Li2FeNi3 octahedra, corners with two equivalent O(1)Li2FeNi3 octahedra, corners with three equivalent O(5)Li2FeNi2 square pyramids, corners with three equivalent O(2)Li3Fe2 square pyramids, edges with two equivalent O(1)Li2FeNi3 octahedra, edges with two equivalent O(3)Li2FeNi3 octahedra,  an edgeedge with one O(5)Li2FeNi2 square pyramid,  an edgeedge with one O(4)Li3FeNi square pyramid, and edges with two equivalent O(2)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 2-13°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Fe(1), one Ni(1), and one Ni(2) atom to form OLi2FeNi2 square pyramids that share  a cornercorner with one O(1)Li2FeNi3 octahedra,  a cornercorner with one O(3)Li2FeNi3 octahedra,  a cornercorner with one O(5)Li2FeNi2 square pyramid, corners with three equivalent O(2)Li3Fe2 square pyramids, corners with three equivalent O(4)Li3FeNi square pyramids, edges with three equivalent O(1)Li2FeNi3 octahedra, edges with three equivalent O(3)Li2FeNi3 octahedra,  an edgeedge with one O(2)Li3Fe2 square pyramid, and  an edgeedge with one O(4)Li3FeNi square pyramid. The corner-sharing octahedral tilt angles range from 7-15°. is represented by the CIF card [CIF]
data_Li4Fe2Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.042
_cell_length_b   5.082
_cell_length_c   7.767
_cell_angle_alpha   102.837
_cell_angle_beta   108.340
_cell_angle_gamma   99.315
_symmetry_Int_Tables_number   1
_cell_volume   178.310
_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  0.076  0.770  0.587  1.0
  Li  Li1  1  0.699  0.600  0.217  1.0
  Li  Li2  1  0.301  0.400  0.783  1.0
  Li  Li3  1  0.924  0.230  0.413  1.0
  Fe  Fe4  1  0.303  0.897  0.313  1.0
  Fe  Fe5  1  0.697  0.103  0.687  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.099  0.300  0.098  1.0
  Ni  Ni8  1  0.901  0.700  0.902  1.0
  O  O9  1  0.898  0.941  0.137  1.0
  O  O10  1  0.697  0.889  0.447  1.0
  O  O11  1  0.282  0.670  0.046  1.0
  O  O12  1  0.091  0.542  0.320  1.0
  O  O13  1  0.539  0.777  0.781  1.0
  O  O14  1  0.461  0.223  0.219  1.0
  O  O15  1  0.909  0.458  0.680  1.0
  O  O16  1  0.718  0.330  0.954  1.0
  O  O17  1  0.303  0.111  0.553  1.0
  O  O18  1  0.102  0.059  0.863  1.0
[/CIF]
.