The compound described by Li2TiNi2O5 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and three equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Ti(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), and three equivalent O(1) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Ti(1), one Ni(2), and three equivalent Ni(1) atoms to form OLiTiNi4 octahedra that share corners with two equivalent O(6)Li2Ti2Ni2 octahedra, corners with two equivalent O(5)Li3Ti2Ni octahedra, corners with two equivalent O(1)LiTiNi4 octahedra,  an edgeedge with one O(3)Li2Ti2Ni2 octahedra, edges with two equivalent O(5)Li3Ti2Ni octahedra, edges with two equivalent O(1)LiTiNi4 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(4)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share corners with two equivalent O(4)Li3TiNi2 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(3)Li2Ti2Ni2 octahedra, edges with two equivalent O(6)Li2Ti2Ni2 octahedra, edges with two equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(5)Li3Ti2Ni octahedra, and edges with three equivalent O(1)LiTiNi4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Ti(1), and two equivalent Ni(2) atoms to form OLi2Ti2Ni2 octahedra that share corners with two equivalent O(3)Li2Ti2Ni2 octahedra, corners with four equivalent O(4)Li3TiNi2 octahedra, edges with two equivalent O(6)Li2Ti2Ni2 octahedra, edges with two equivalent O(1)LiTiNi4 octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(5)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to three equivalent Li(2), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share corners with two equivalent O(3)Li2Ti2Ni2 octahedra, corners with two equivalent O(2)Li3Ni3 octahedra, corners with two equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li2Ti2Ni2 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(5)Li3Ti2Ni octahedra, and edges with four equivalent O(1)LiTiNi4 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), two equivalent Ti(1), and one Ni(1) atom to form OLi3Ti2Ni octahedra that share corners with two equivalent O(1)LiTiNi4 octahedra, corners with four equivalent O(5)Li3Ti2Ni octahedra, edges with two equivalent O(3)Li2Ti2Ni2 octahedra, edges with two equivalent O(6)Li2Ti2Ni2 octahedra, edges with two equivalent O(1)LiTiNi4 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, and edges with three equivalent O(4)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to two equivalent Li(3), two equivalent Ti(1), and two equivalent Ni(2) atoms to form OLi2Ti2Ni2 octahedra that share corners with two equivalent O(6)Li2Ti2Ni2 octahedra, corners with four equivalent O(1)LiTiNi4 octahedra, edges with two equivalent O(3)Li2Ti2Ni2 octahedra, edges with two equivalent O(4)Li3TiNi2 octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(5)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiNi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.836
_cell_length_b   7.836
_cell_length_c   5.931
_cell_angle_alpha   78.268
_cell_angle_beta   78.268
_cell_angle_gamma   30.337
_symmetry_Int_Tables_number   1
_cell_volume   179.826
_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  0.500  0.000  1.0
  Li  Li1  1  0.695  0.695  0.391  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.305  0.305  0.609  1.0
  Ti  Ti4  1  0.896  0.896  0.312  1.0
  Ti  Ti5  1  0.104  0.104  0.688  1.0
  Ni  Ni6  1  0.700  0.700  0.900  1.0
  Ni  Ni7  1  0.902  0.902  0.801  1.0
  Ni  Ni8  1  0.300  0.300  0.100  1.0
  Ni  Ni9  1  0.098  0.098  0.199  1.0
  O  O10  1  0.194  0.194  0.887  1.0
  O  O11  1  0.394  0.394  0.810  1.0
  O  O12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.806  0.806  0.113  1.0
  O  O14  1  0.191  0.191  0.419  1.0
  O  O15  1  0.606  0.606  0.190  1.0
  O  O16  1  0.399  0.399  0.300  1.0
  O  O17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.809  0.809  0.581  1.0
  O  O19  1  0.601  0.601  0.700  1.0
[/CIF]
.
The compound described by Li2TiNi2O5 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and three equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Ti(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), and three equivalent O(1) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Ti(1), one Ni(2), and three equivalent Ni(1) atoms to form OLiTiNi4 octahedra that share corners with two equivalent O(6)Li2Ti2Ni2 octahedra, corners with two equivalent O(5)Li3Ti2Ni octahedra, corners with two equivalent O(1)LiTiNi4 octahedra,  an edgeedge with one O(3)Li2Ti2Ni2 octahedra, edges with two equivalent O(5)Li3Ti2Ni octahedra, edges with two equivalent O(1)LiTiNi4 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(4)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share corners with two equivalent O(4)Li3TiNi2 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(3)Li2Ti2Ni2 octahedra, edges with two equivalent O(6)Li2Ti2Ni2 octahedra, edges with two equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(5)Li3Ti2Ni octahedra, and edges with three equivalent O(1)LiTiNi4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Ti(1), and two equivalent Ni(2) atoms to form OLi2Ti2Ni2 octahedra that share corners with two equivalent O(3)Li2Ti2Ni2 octahedra, corners with four equivalent O(4)Li3TiNi2 octahedra, edges with two equivalent O(6)Li2Ti2Ni2 octahedra, edges with two equivalent O(1)LiTiNi4 octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(5)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to three equivalent Li(2), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share corners with two equivalent O(3)Li2Ti2Ni2 octahedra, corners with two equivalent O(2)Li3Ni3 octahedra, corners with two equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li2Ti2Ni2 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(5)Li3Ti2Ni octahedra, and edges with four equivalent O(1)LiTiNi4 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), two equivalent Ti(1), and one Ni(1) atom to form OLi3Ti2Ni octahedra that share corners with two equivalent O(1)LiTiNi4 octahedra, corners with four equivalent O(5)Li3Ti2Ni octahedra, edges with two equivalent O(3)Li2Ti2Ni2 octahedra, edges with two equivalent O(6)Li2Ti2Ni2 octahedra, edges with two equivalent O(1)LiTiNi4 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, and edges with three equivalent O(4)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to two equivalent Li(3), two equivalent Ti(1), and two equivalent Ni(2) atoms to form OLi2Ti2Ni2 octahedra that share corners with two equivalent O(6)Li2Ti2Ni2 octahedra, corners with four equivalent O(1)LiTiNi4 octahedra, edges with two equivalent O(3)Li2Ti2Ni2 octahedra, edges with two equivalent O(4)Li3TiNi2 octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(5)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiNi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.836
_cell_length_b   7.836
_cell_length_c   5.931
_cell_angle_alpha   78.268
_cell_angle_beta   78.268
_cell_angle_gamma   30.337
_symmetry_Int_Tables_number   1
_cell_volume   179.826
_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  0.500  0.000  1.0
  Li  Li1  1  0.695  0.695  0.391  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.305  0.305  0.609  1.0
  Ti  Ti4  1  0.896  0.896  0.312  1.0
  Ti  Ti5  1  0.104  0.104  0.688  1.0
  Ni  Ni6  1  0.700  0.700  0.900  1.0
  Ni  Ni7  1  0.902  0.902  0.801  1.0
  Ni  Ni8  1  0.300  0.300  0.100  1.0
  Ni  Ni9  1  0.098  0.098  0.199  1.0
  O  O10  1  0.194  0.194  0.887  1.0
  O  O11  1  0.394  0.394  0.810  1.0
  O  O12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.806  0.806  0.113  1.0
  O  O14  1  0.191  0.191  0.419  1.0
  O  O15  1  0.606  0.606  0.190  1.0
  O  O16  1  0.399  0.399  0.300  1.0
  O  O17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.809  0.809  0.581  1.0
  O  O19  1  0.601  0.601  0.700  1.0
[/CIF]
.