The structure described by Li3Fe(Ni2O5)2 crystallizes in the monoclinic P2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second Li site, Li(2) is bonded to one O(3), one O(5), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Ni(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(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(9) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(9) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(4) and four equivalent O(7) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Fe site, Fe(2) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(5), two equivalent O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the third Ni site, Ni(3) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(6), one O(9), two equivalent O(2), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), and two equivalent Ni(3) atoms. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(4), one Ni(1), and two equivalent Ni(4) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with six equivalent O(9)Li3Ni3 octahedra, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Ni(3) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(2), one Ni(1), and two equivalent Ni(4) atoms. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Ni(4), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share corners with three equivalent O(9)Li3Ni3 octahedra, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 3-5°. In the seventh O site, O(7) is bonded to two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi2Fe3 square pyramids that share corners with two equivalent O(10)Li2Ni3 square pyramids, corners with three equivalent O(7)Li2Fe3 square pyramids,  an edgeedge with one O(10)Li2Ni3 square pyramid, and edges with three equivalent O(7)Li2Fe3 square pyramids. In the eighth O site, O(8) is bonded to two equivalent Li(2), one Ni(3), and two equivalent Ni(2) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the ninth O site, O(9) is bonded to one Li(4), two equivalent Li(3), one Ni(4), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(9)Li3Ni3 octahedra, corners with three equivalent O(6)Li2Ni3 square pyramids, edges with three equivalent O(9)Li3Ni3 octahedra, edges with six equivalent O(2)Li3Ni3 octahedra, and  an edgeedge with one O(6)Li2Ni3 square pyramid. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to two equivalent Li(1), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(7)Li2Fe3 square pyramids, corners with three equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(10)Li2Ni3 square pyramids. is represented by the CIF card [CIF]
data_Li3Fe(Ni2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.862
_cell_length_b   5.048
_cell_length_c   24.268
_cell_angle_alpha   86.211
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.766
_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  0.500  0.703  0.398  1.0
  Li  Li1  1  0.500  0.900  0.801  1.0
  Li  Li2  1  0.500  0.100  0.199  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  0.500  0.297  0.602  1.0
  Li  Li5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.500  0.000  0.500  1.0
  Fe  Fe7  1  0.000  0.500  0.500  1.0
  Ni  Ni8  1  0.500  0.204  0.898  1.0
  Ni  Ni9  1  0.500  0.400  0.299  1.0
  Ni  Ni10  1  0.500  0.600  0.701  1.0
  Ni  Ni11  1  0.500  0.796  0.102  1.0
  Ni  Ni12  1  0.000  0.900  0.299  1.0
  Ni  Ni13  1  0.000  0.100  0.701  1.0
  Ni  Ni14  1  0.000  0.298  0.098  1.0
  Ni  Ni15  1  0.000  0.702  0.902  1.0
  O  O16  1  0.500  0.975  0.659  1.0
  O  O17  1  0.500  0.025  0.341  1.0
  O  O18  1  0.500  0.166  0.054  1.0
  O  O19  1  0.500  0.224  0.743  1.0
  O  O20  1  0.500  0.356  0.456  1.0
  O  O21  1  0.500  0.419  0.140  1.0
  O  O22  1  0.500  0.581  0.860  1.0
  O  O23  1  0.500  0.644  0.544  1.0
  O  O24  1  0.500  0.776  0.257  1.0
  O  O25  1  0.500  0.834  0.946  1.0
  O  O26  1  0.000  0.979  0.141  1.0
  O  O27  1  0.000  0.021  0.859  1.0
  O  O28  1  0.000  0.165  0.546  1.0
  O  O29  1  0.000  0.232  0.259  1.0
  O  O30  1  0.000  0.365  0.944  1.0
  O  O31  1  0.000  0.430  0.661  1.0
  O  O32  1  0.000  0.570  0.339  1.0
  O  O33  1  0.000  0.635  0.056  1.0
  O  O34  1  0.000  0.768  0.741  1.0
  O  O35  1  0.000  0.835  0.454  1.0
[/CIF]
.
The structure described by Li3Fe(Ni2O5)2 crystallizes in the monoclinic P2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second Li site, Li(2) is bonded to one O(3), one O(5), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Ni(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(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(9) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(9) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(4) and four equivalent O(7) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Fe site, Fe(2) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(5), two equivalent O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the third Ni site, Ni(3) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(6), one O(9), two equivalent O(2), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), and two equivalent Ni(3) atoms. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(4), one Ni(1), and two equivalent Ni(4) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with six equivalent O(9)Li3Ni3 octahedra, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Ni(3) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(2), one Ni(1), and two equivalent Ni(4) atoms. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Ni(4), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share corners with three equivalent O(9)Li3Ni3 octahedra, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 3-5°. In the seventh O site, O(7) is bonded to two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi2Fe3 square pyramids that share corners with two equivalent O(10)Li2Ni3 square pyramids, corners with three equivalent O(7)Li2Fe3 square pyramids,  an edgeedge with one O(10)Li2Ni3 square pyramid, and edges with three equivalent O(7)Li2Fe3 square pyramids. In the eighth O site, O(8) is bonded to two equivalent Li(2), one Ni(3), and two equivalent Ni(2) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the ninth O site, O(9) is bonded to one Li(4), two equivalent Li(3), one Ni(4), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(9)Li3Ni3 octahedra, corners with three equivalent O(6)Li2Ni3 square pyramids, edges with three equivalent O(9)Li3Ni3 octahedra, edges with six equivalent O(2)Li3Ni3 octahedra, and  an edgeedge with one O(6)Li2Ni3 square pyramid. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to two equivalent Li(1), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(7)Li2Fe3 square pyramids, corners with three equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(10)Li2Ni3 square pyramids. is represented by the CIF card [CIF]
data_Li3Fe(Ni2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.862
_cell_length_b   5.048
_cell_length_c   24.268
_cell_angle_alpha   86.211
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.766
_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  0.500  0.703  0.398  1.0
  Li  Li1  1  0.500  0.900  0.801  1.0
  Li  Li2  1  0.500  0.100  0.199  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  0.500  0.297  0.602  1.0
  Li  Li5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.500  0.000  0.500  1.0
  Fe  Fe7  1  0.000  0.500  0.500  1.0
  Ni  Ni8  1  0.500  0.204  0.898  1.0
  Ni  Ni9  1  0.500  0.400  0.299  1.0
  Ni  Ni10  1  0.500  0.600  0.701  1.0
  Ni  Ni11  1  0.500  0.796  0.102  1.0
  Ni  Ni12  1  0.000  0.900  0.299  1.0
  Ni  Ni13  1  0.000  0.100  0.701  1.0
  Ni  Ni14  1  0.000  0.298  0.098  1.0
  Ni  Ni15  1  0.000  0.702  0.902  1.0
  O  O16  1  0.500  0.975  0.659  1.0
  O  O17  1  0.500  0.025  0.341  1.0
  O  O18  1  0.500  0.166  0.054  1.0
  O  O19  1  0.500  0.224  0.743  1.0
  O  O20  1  0.500  0.356  0.456  1.0
  O  O21  1  0.500  0.419  0.140  1.0
  O  O22  1  0.500  0.581  0.860  1.0
  O  O23  1  0.500  0.644  0.544  1.0
  O  O24  1  0.500  0.776  0.257  1.0
  O  O25  1  0.500  0.834  0.946  1.0
  O  O26  1  0.000  0.979  0.141  1.0
  O  O27  1  0.000  0.021  0.859  1.0
  O  O28  1  0.000  0.165  0.546  1.0
  O  O29  1  0.000  0.232  0.259  1.0
  O  O30  1  0.000  0.365  0.944  1.0
  O  O31  1  0.000  0.430  0.661  1.0
  O  O32  1  0.000  0.570  0.339  1.0
  O  O33  1  0.000  0.635  0.056  1.0
  O  O34  1  0.000  0.768  0.741  1.0
  O  O35  1  0.000  0.835  0.454  1.0
[/CIF]
.