The material structure described by Li2Fe(NiO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(8), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the third Li site, Li(3) is bonded to one O(1), one O(6), one O(7), one O(9), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(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 Ni site, Ni(2) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Ni site, Ni(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)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,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(2), one Ni(1), and one Ni(2) atom to form OLi2FeNi2 square pyramids that share  a cornercorner with one O(2)Li2FeNi2 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2FeNi2 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids, corners with three equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li2Fe2Ni square pyramid,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(3)Li2FeNi2 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, and edges with two equivalent O(7)Li2Fe2Ni square pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), one Ni(2), and one Ni(3) atom to form OLi2FeNi2 square pyramids that share  a cornercorner with one O(4)Li2Fe2Ni square pyramid,  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(1)Li2FeNi2 square pyramid,  a cornercorner with one O(2)Li2FeNi2 square pyramid,  a cornercorner with one O(3)Li2FeNi2 square pyramid, corners with two equivalent O(8)Li2Ni3 square pyramids, corners with two equivalent O(9)Li2Ni3 square pyramids,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, and edges with two equivalent O(4)Li2Fe2Ni square pyramids. In the third O site, O(3) is bonded to two equivalent Li(3), one Fe(2), one Ni(1), and one Ni(3) atom to form OLi2FeNi2 square pyramids that share  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(7)Li2Fe2Ni square pyramid,  a cornercorner with one O(2)Li2FeNi2 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid, corners with two equivalent O(1)Li2FeNi2 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li2Fe2Ni square pyramid,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(3)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, edges with two equivalent O(7)Li2Fe2Ni square pyramids, and edges with two equivalent O(9)Li2Ni3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Ni(3) atom to form OLi2Fe2Ni square pyramids that share  a cornercorner with one O(4)Li2Fe2Ni square pyramid,  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(2)Li2FeNi2 square pyramid, corners with three equivalent O(7)Li2Fe2Ni square pyramids, corners with three equivalent O(9)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(3)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, edges with two equivalent O(5)Li2Fe2Ni square pyramids, and edges with two equivalent O(2)Li2FeNi2 square pyramids. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Fe(1), one Fe(2), and one Ni(2) atom to form OLi2Fe2Ni square pyramids that share  a cornercorner with one O(4)Li2Fe2Ni square pyramid,  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(2)Li2FeNi2 square pyramid,  a cornercorner with one O(3)Li2FeNi2 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Fe2Ni square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(7)Li2Fe2Ni square pyramid,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(4)Li2Fe2Ni square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(7)Li2Fe2Ni square pyramid, corners with two equivalent O(3)Li2FeNi2 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids, corners with three equivalent O(1)Li2FeNi2 square pyramids,  an edgeedge with one O(4)Li2Fe2Ni square pyramid,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(7)Li2Fe2Ni square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(3)Li2FeNi2 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(9)Li2Ni3 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), two equivalent Fe(2), and one Ni(1) atom to form OLi2Fe2Ni square pyramids that share  a cornercorner with one O(3)Li2FeNi2 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Fe2Ni square pyramids, corners with two equivalent O(9)Li2Ni3 square pyramids, corners with three equivalent O(4)Li2Fe2Ni square pyramids,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(7)Li2Fe2Ni square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, edges with two equivalent O(1)Li2FeNi2 square pyramids, and edges with two equivalent O(3)Li2FeNi2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ni(1), and two equivalent Ni(2) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(3)Li2FeNi2 square pyramid, corners with two equivalent O(5)Li2Fe2Ni square pyramids, corners with two equivalent O(1)Li2FeNi2 square pyramids, corners with two equivalent O(2)Li2FeNi2 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li2Fe2Ni square pyramid,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(7)Li2Fe2Ni square pyramid,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Ni(1), and two equivalent Ni(3) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2FeNi2 square pyramid,  a cornercorner with one O(3)Li2FeNi2 square pyramid, corners with two equivalent O(7)Li2Fe2Ni square pyramids, corners with two equivalent O(2)Li2FeNi2 square pyramids, corners with three equivalent O(4)Li2Fe2Ni square pyramids,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, edges with two equivalent O(3)Li2FeNi2 square pyramids, and edges with two equivalent O(6)Li2Ni3 square pyramids. is represented by the CIF card [CIF]
data_Li2Fe(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.568
_cell_length_b   6.639
_cell_length_c   8.321
_cell_angle_alpha   70.606
_cell_angle_beta   70.362
_cell_angle_gamma   82.332
_symmetry_Int_Tables_number   1
_cell_volume   322.260
_cell_formula_units_Z   3
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  0.835  0.490  0.672  1.0
  Li  Li1  1  0.165  0.510  0.328  1.0
  Li  Li2  1  0.505  0.151  0.335  1.0
  Li  Li3  1  0.828  0.162  0.002  1.0
  Li  Li4  1  0.495  0.849  0.665  1.0
  Li  Li5  1  0.172  0.838  0.998  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.832  0.506  0.160  1.0
  Fe  Fe8  1  0.168  0.494  0.840  1.0
  Ni  Ni9  1  0.831  0.838  0.827  1.0
  Ni  Ni10  1  0.836  0.166  0.498  1.0
  Ni  Ni11  1  0.169  0.162  0.173  1.0
  Ni  Ni12  1  0.503  0.166  0.833  1.0
  Ni  Ni13  1  0.164  0.834  0.502  1.0
  Ni  Ni14  1  0.497  0.834  0.167  1.0
  O  O15  1  0.149  0.819  0.739  1.0
  O  O16  1  0.464  0.822  0.433  1.0
  O  O17  1  0.814  0.831  0.061  1.0
  O  O18  1  0.490  0.476  0.743  1.0
  O  O19  1  0.830  0.466  0.419  1.0
  O  O20  1  0.811  0.166  0.732  1.0
  O  O21  1  0.170  0.534  0.581  1.0
  O  O22  1  0.510  0.524  0.257  1.0
  O  O23  1  0.536  0.178  0.567  1.0
  O  O24  1  0.148  0.505  0.082  1.0
  O  O25  1  0.147  0.141  0.412  1.0
  O  O26  1  0.483  0.133  0.098  1.0
  O  O27  1  0.852  0.495  0.918  1.0
  O  O28  1  0.851  0.181  0.261  1.0
  O  O29  1  0.186  0.169  0.939  1.0
  O  O30  1  0.853  0.859  0.588  1.0
  O  O31  1  0.189  0.834  0.268  1.0
  O  O32  1  0.517  0.867  0.902  1.0
[/CIF]
.
The material structure described by Li2Fe(NiO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(8), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the third Li site, Li(3) is bonded to one O(1), one O(6), one O(7), one O(9), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(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 Ni site, Ni(2) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Ni site, Ni(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)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,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(2), one Ni(1), and one Ni(2) atom to form OLi2FeNi2 square pyramids that share  a cornercorner with one O(2)Li2FeNi2 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2FeNi2 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids, corners with three equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li2Fe2Ni square pyramid,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(3)Li2FeNi2 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, and edges with two equivalent O(7)Li2Fe2Ni square pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), one Ni(2), and one Ni(3) atom to form OLi2FeNi2 square pyramids that share  a cornercorner with one O(4)Li2Fe2Ni square pyramid,  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(1)Li2FeNi2 square pyramid,  a cornercorner with one O(2)Li2FeNi2 square pyramid,  a cornercorner with one O(3)Li2FeNi2 square pyramid, corners with two equivalent O(8)Li2Ni3 square pyramids, corners with two equivalent O(9)Li2Ni3 square pyramids,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, and edges with two equivalent O(4)Li2Fe2Ni square pyramids. In the third O site, O(3) is bonded to two equivalent Li(3), one Fe(2), one Ni(1), and one Ni(3) atom to form OLi2FeNi2 square pyramids that share  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(7)Li2Fe2Ni square pyramid,  a cornercorner with one O(2)Li2FeNi2 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid, corners with two equivalent O(1)Li2FeNi2 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li2Fe2Ni square pyramid,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(3)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, edges with two equivalent O(7)Li2Fe2Ni square pyramids, and edges with two equivalent O(9)Li2Ni3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Ni(3) atom to form OLi2Fe2Ni square pyramids that share  a cornercorner with one O(4)Li2Fe2Ni square pyramid,  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(2)Li2FeNi2 square pyramid, corners with three equivalent O(7)Li2Fe2Ni square pyramids, corners with three equivalent O(9)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(3)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, edges with two equivalent O(5)Li2Fe2Ni square pyramids, and edges with two equivalent O(2)Li2FeNi2 square pyramids. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Fe(1), one Fe(2), and one Ni(2) atom to form OLi2Fe2Ni square pyramids that share  a cornercorner with one O(4)Li2Fe2Ni square pyramid,  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(2)Li2FeNi2 square pyramid,  a cornercorner with one O(3)Li2FeNi2 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Fe2Ni square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(7)Li2Fe2Ni square pyramid,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(4)Li2Fe2Ni square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(5)Li2Fe2Ni square pyramid,  a cornercorner with one O(7)Li2Fe2Ni square pyramid, corners with two equivalent O(3)Li2FeNi2 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids, corners with three equivalent O(1)Li2FeNi2 square pyramids,  an edgeedge with one O(4)Li2Fe2Ni square pyramid,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(7)Li2Fe2Ni square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(3)Li2FeNi2 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(9)Li2Ni3 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), two equivalent Fe(2), and one Ni(1) atom to form OLi2Fe2Ni square pyramids that share  a cornercorner with one O(3)Li2FeNi2 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Fe2Ni square pyramids, corners with two equivalent O(9)Li2Ni3 square pyramids, corners with three equivalent O(4)Li2Fe2Ni square pyramids,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(7)Li2Fe2Ni square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, edges with two equivalent O(1)Li2FeNi2 square pyramids, and edges with two equivalent O(3)Li2FeNi2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ni(1), and two equivalent Ni(2) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(3)Li2FeNi2 square pyramid, corners with two equivalent O(5)Li2Fe2Ni square pyramids, corners with two equivalent O(1)Li2FeNi2 square pyramids, corners with two equivalent O(2)Li2FeNi2 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li2Fe2Ni square pyramid,  an edgeedge with one O(5)Li2Fe2Ni square pyramid,  an edgeedge with one O(7)Li2Fe2Ni square pyramid,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Ni(1), and two equivalent Ni(3) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2FeNi2 square pyramid,  a cornercorner with one O(3)Li2FeNi2 square pyramid, corners with two equivalent O(7)Li2Fe2Ni square pyramids, corners with two equivalent O(2)Li2FeNi2 square pyramids, corners with three equivalent O(4)Li2Fe2Ni square pyramids,  an edgeedge with one O(1)Li2FeNi2 square pyramid,  an edgeedge with one O(2)Li2FeNi2 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, edges with two equivalent O(3)Li2FeNi2 square pyramids, and edges with two equivalent O(6)Li2Ni3 square pyramids. is represented by the CIF card [CIF]
data_Li2Fe(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.568
_cell_length_b   6.639
_cell_length_c   8.321
_cell_angle_alpha   70.606
_cell_angle_beta   70.362
_cell_angle_gamma   82.332
_symmetry_Int_Tables_number   1
_cell_volume   322.260
_cell_formula_units_Z   3
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  0.835  0.490  0.672  1.0
  Li  Li1  1  0.165  0.510  0.328  1.0
  Li  Li2  1  0.505  0.151  0.335  1.0
  Li  Li3  1  0.828  0.162  0.002  1.0
  Li  Li4  1  0.495  0.849  0.665  1.0
  Li  Li5  1  0.172  0.838  0.998  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.832  0.506  0.160  1.0
  Fe  Fe8  1  0.168  0.494  0.840  1.0
  Ni  Ni9  1  0.831  0.838  0.827  1.0
  Ni  Ni10  1  0.836  0.166  0.498  1.0
  Ni  Ni11  1  0.169  0.162  0.173  1.0
  Ni  Ni12  1  0.503  0.166  0.833  1.0
  Ni  Ni13  1  0.164  0.834  0.502  1.0
  Ni  Ni14  1  0.497  0.834  0.167  1.0
  O  O15  1  0.149  0.819  0.739  1.0
  O  O16  1  0.464  0.822  0.433  1.0
  O  O17  1  0.814  0.831  0.061  1.0
  O  O18  1  0.490  0.476  0.743  1.0
  O  O19  1  0.830  0.466  0.419  1.0
  O  O20  1  0.811  0.166  0.732  1.0
  O  O21  1  0.170  0.534  0.581  1.0
  O  O22  1  0.510  0.524  0.257  1.0
  O  O23  1  0.536  0.178  0.567  1.0
  O  O24  1  0.148  0.505  0.082  1.0
  O  O25  1  0.147  0.141  0.412  1.0
  O  O26  1  0.483  0.133  0.098  1.0
  O  O27  1  0.852  0.495  0.918  1.0
  O  O28  1  0.851  0.181  0.261  1.0
  O  O29  1  0.186  0.169  0.939  1.0
  O  O30  1  0.853  0.859  0.588  1.0
  O  O31  1  0.189  0.834  0.268  1.0
  O  O32  1  0.517  0.867  0.902  1.0
[/CIF]
.