The structure described by Li2Ti(NiO3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the second Ti site, Ti(2) is bonded to two equivalent O(5) and four equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. There are six inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Li(1), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(1)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(5)Li2TiNi2 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2TiNi2 square pyramids,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(1)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid,  an edgeedge with one O(5)Li2TiNi2 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, and edges with two equivalent O(6)Li2Ti2Ni square pyramids. In the second O site, O(4) is bonded to two equivalent Li(1), one Ni(2), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ti2Ni square pyramid, corners with four equivalent O(6)Li2Ti2Ni square pyramids, corners with four equivalent O(3)Li2TiNi2 square pyramids, edges with two equivalent O(3)Li2TiNi2 square pyramids, edges with two equivalent O(5)Li2TiNi2 square pyramids, and edges with four equivalent O(2)Li2Ni3 square pyramids. In the third O site, O(5) is bonded to two equivalent Li(1), one Ti(2), and two equivalent Ni(1) atoms to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(5)Li2TiNi2 square pyramid, corners with two equivalent O(3)Li2TiNi2 square pyramids, corners with six equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(4)Li2Ni3 square pyramids, edges with two equivalent O(3)Li2TiNi2 square pyramids, and edges with four equivalent O(6)Li2Ti2Ni square pyramids. In the fourth O site, O(6) is bonded to one Li(1), one Li(2), one Ti(1), one Ti(2), and one Ni(1) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(1)Li2Ti2Ni square pyramids, corners with three equivalent O(6)Li2Ti2Ni square pyramids,  an edgeedge with one O(1)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(3)Li2TiNi2 square pyramids, and edges with two equivalent O(5)Li2TiNi2 square pyramids. In the fifth O site, O(1) is bonded to two equivalent Li(2), two equivalent Ti(1), and one Ni(2) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(4)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2TiNi2 square pyramids, corners with four equivalent O(6)Li2Ti2Ni square pyramids, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(1)Li2Ti2Ni square pyramids, edges with two equivalent O(6)Li2Ti2Ni square pyramids, and edges with two equivalent O(3)Li2TiNi2 square pyramids. In the sixth O site, O(2) is bonded to one Li(1), one Li(2), one Ni(2), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2TiNi2 square pyramids, corners with three equivalent O(5)Li2TiNi2 square pyramids,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(1)Li2Ti2Ni square pyramid, edges with two equivalent O(4)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ti2Ni square pyramids, and edges with two equivalent O(3)Li2TiNi2 square pyramids. is represented by the CIF file [CIF]
data_Li2Ti(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.810
_cell_length_b   7.810
_cell_length_c   5.904
_cell_angle_alpha   78.238
_cell_angle_beta   78.238
_cell_angle_gamma   67.742
_symmetry_Int_Tables_number   1
_cell_volume   323.077
_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  0.005  0.345  0.668  1.0
  Li  Li1  1  0.345  0.005  0.668  1.0
  Li  Li2  1  0.995  0.655  0.332  1.0
  Li  Li3  1  0.655  0.995  0.332  1.0
  Li  Li4  1  0.325  0.675  0.000  1.0
  Li  Li5  1  0.675  0.325  0.000  1.0
  Ti  Ti6  1  0.329  0.671  0.500  1.0
  Ti  Ti7  1  0.000  0.000  0.500  1.0
  Ti  Ti8  1  0.671  0.329  0.500  1.0
  Ni  Ni9  1  0.006  0.334  0.163  1.0
  Ni  Ni10  1  0.664  0.664  0.159  1.0
  Ni  Ni11  1  0.334  0.006  0.163  1.0
  Ni  Ni12  1  0.994  0.666  0.837  1.0
  Ni  Ni13  1  0.666  0.994  0.837  1.0
  Ni  Ni14  1  0.336  0.336  0.841  1.0
  O  O15  1  0.513  0.513  0.263  1.0
  O  O16  1  0.848  0.485  0.948  1.0
  O  O17  1  0.485  0.848  0.948  1.0
  O  O18  1  0.487  0.487  0.737  1.0
  O  O19  1  0.834  0.480  0.396  1.0
  O  O20  1  0.480  0.834  0.396  1.0
  O  O21  1  0.152  0.515  0.052  1.0
  O  O22  1  0.812  0.812  0.070  1.0
  O  O23  1  0.515  0.152  0.052  1.0
  O  O24  1  0.166  0.520  0.604  1.0
  O  O25  1  0.842  0.842  0.611  1.0
  O  O26  1  0.520  0.166  0.604  1.0
  O  O27  1  0.161  0.826  0.281  1.0
  O  O28  1  0.826  0.161  0.281  1.0
  O  O29  1  0.188  0.188  0.930  1.0
  O  O30  1  0.174  0.839  0.719  1.0
  O  O31  1  0.839  0.174  0.719  1.0
  O  O32  1  0.158  0.158  0.389  1.0
[/CIF]
.
The structure described by Li2Ti(NiO3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the second Ti site, Ti(2) is bonded to two equivalent O(5) and four equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. There are six inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Li(1), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(1)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(5)Li2TiNi2 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2TiNi2 square pyramids,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(1)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid,  an edgeedge with one O(5)Li2TiNi2 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, and edges with two equivalent O(6)Li2Ti2Ni square pyramids. In the second O site, O(4) is bonded to two equivalent Li(1), one Ni(2), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ti2Ni square pyramid, corners with four equivalent O(6)Li2Ti2Ni square pyramids, corners with four equivalent O(3)Li2TiNi2 square pyramids, edges with two equivalent O(3)Li2TiNi2 square pyramids, edges with two equivalent O(5)Li2TiNi2 square pyramids, and edges with four equivalent O(2)Li2Ni3 square pyramids. In the third O site, O(5) is bonded to two equivalent Li(1), one Ti(2), and two equivalent Ni(1) atoms to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(5)Li2TiNi2 square pyramid, corners with two equivalent O(3)Li2TiNi2 square pyramids, corners with six equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(4)Li2Ni3 square pyramids, edges with two equivalent O(3)Li2TiNi2 square pyramids, and edges with four equivalent O(6)Li2Ti2Ni square pyramids. In the fourth O site, O(6) is bonded to one Li(1), one Li(2), one Ti(1), one Ti(2), and one Ni(1) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(1)Li2Ti2Ni square pyramids, corners with three equivalent O(6)Li2Ti2Ni square pyramids,  an edgeedge with one O(1)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(3)Li2TiNi2 square pyramids, and edges with two equivalent O(5)Li2TiNi2 square pyramids. In the fifth O site, O(1) is bonded to two equivalent Li(2), two equivalent Ti(1), and one Ni(2) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(4)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2TiNi2 square pyramids, corners with four equivalent O(6)Li2Ti2Ni square pyramids, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(1)Li2Ti2Ni square pyramids, edges with two equivalent O(6)Li2Ti2Ni square pyramids, and edges with two equivalent O(3)Li2TiNi2 square pyramids. In the sixth O site, O(2) is bonded to one Li(1), one Li(2), one Ni(2), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2TiNi2 square pyramids, corners with three equivalent O(5)Li2TiNi2 square pyramids,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(1)Li2Ti2Ni square pyramid, edges with two equivalent O(4)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ti2Ni square pyramids, and edges with two equivalent O(3)Li2TiNi2 square pyramids. is represented by the CIF file [CIF]
data_Li2Ti(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.810
_cell_length_b   7.810
_cell_length_c   5.904
_cell_angle_alpha   78.238
_cell_angle_beta   78.238
_cell_angle_gamma   67.742
_symmetry_Int_Tables_number   1
_cell_volume   323.077
_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  0.005  0.345  0.668  1.0
  Li  Li1  1  0.345  0.005  0.668  1.0
  Li  Li2  1  0.995  0.655  0.332  1.0
  Li  Li3  1  0.655  0.995  0.332  1.0
  Li  Li4  1  0.325  0.675  0.000  1.0
  Li  Li5  1  0.675  0.325  0.000  1.0
  Ti  Ti6  1  0.329  0.671  0.500  1.0
  Ti  Ti7  1  0.000  0.000  0.500  1.0
  Ti  Ti8  1  0.671  0.329  0.500  1.0
  Ni  Ni9  1  0.006  0.334  0.163  1.0
  Ni  Ni10  1  0.664  0.664  0.159  1.0
  Ni  Ni11  1  0.334  0.006  0.163  1.0
  Ni  Ni12  1  0.994  0.666  0.837  1.0
  Ni  Ni13  1  0.666  0.994  0.837  1.0
  Ni  Ni14  1  0.336  0.336  0.841  1.0
  O  O15  1  0.513  0.513  0.263  1.0
  O  O16  1  0.848  0.485  0.948  1.0
  O  O17  1  0.485  0.848  0.948  1.0
  O  O18  1  0.487  0.487  0.737  1.0
  O  O19  1  0.834  0.480  0.396  1.0
  O  O20  1  0.480  0.834  0.396  1.0
  O  O21  1  0.152  0.515  0.052  1.0
  O  O22  1  0.812  0.812  0.070  1.0
  O  O23  1  0.515  0.152  0.052  1.0
  O  O24  1  0.166  0.520  0.604  1.0
  O  O25  1  0.842  0.842  0.611  1.0
  O  O26  1  0.520  0.166  0.604  1.0
  O  O27  1  0.161  0.826  0.281  1.0
  O  O28  1  0.826  0.161  0.281  1.0
  O  O29  1  0.188  0.188  0.930  1.0
  O  O30  1  0.174  0.839  0.719  1.0
  O  O31  1  0.839  0.174  0.719  1.0
  O  O32  1  0.158  0.158  0.389  1.0
[/CIF]
.