The compound described by Li5Ti2Ni3O10 is beta Polonium-derived structured and 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(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Ti(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 two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ti(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 4-11°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) 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(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TiO6 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 Ti(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 4-11°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(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 range from 4-6°. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) 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,  an edgeedge with one Li(3)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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ti(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2TiNi3 octahedra that share  a cornercorner with one O(1)Li2TiNi3 octahedra,  a cornercorner with one O(2)Li2TiNi3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra, corners with two equivalent O(5)Li4TiNi octahedra,  an edgeedge with one O(1)Li2TiNi3 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, edges with two equivalent O(5)Li4TiNi octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with four equivalent O(2)Li2TiNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to two equivalent Li(2), one Ti(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2TiNi3 octahedra that share  a cornercorner with one O(1)Li2TiNi3 octahedra,  a cornercorner with one O(2)Li2TiNi3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra,  a cornercorner with one O(5)Li4TiNi octahedra, corners with two equivalent O(3)Li4Ti2 octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra, edges with two equivalent O(2)Li2TiNi3 octahedra, edges with two equivalent O(5)Li4TiNi octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with four equivalent O(1)Li2TiNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Ti(1) atoms to form OLi4Ti2 octahedra that share  a cornercorner with one O(1)Li2TiNi3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiNi octahedra, corners with two equivalent O(2)Li2TiNi3 octahedra,  an edgeedge with one O(2)Li2TiNi3 octahedra, edges with two equivalent O(1)Li2TiNi3 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with four equivalent O(5)Li4TiNi octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(1)Li2TiNi3 octahedra,  a cornercorner with one O(2)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiNi octahedra, corners with two equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(1)Li2TiNi3 octahedra, edges with three equivalent O(2)Li2TiNi3 octahedra, edges with three equivalent O(3)Li4Ti2 octahedra, and edges with three equivalent O(5)Li4TiNi octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ni(2) atom to form OLi4TiNi octahedra that share  a cornercorner with one O(2)Li2TiNi3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiNi octahedra, corners with two equivalent O(1)Li2TiNi3 octahedra,  an edgeedge with one O(5)Li4TiNi octahedra, edges with two equivalent O(1)Li2TiNi3 octahedra, edges with two equivalent O(2)Li2TiNi3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with four equivalent O(3)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Ti2Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   5.137
_cell_length_c   7.732
_cell_angle_alpha   108.963
_cell_angle_beta   101.171
_cell_angle_gamma   100.734
_symmetry_Int_Tables_number   1
_cell_volume   181.095
_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  0.216  0.901  0.396  1.0
  Li  Li1  1  0.410  0.302  0.798  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.590  0.698  0.202  1.0
  Li  Li4  1  0.784  0.099  0.604  1.0
  Ti  Ti5  1  0.106  0.717  0.693  1.0
  Ti  Ti6  1  0.894  0.283  0.307  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  Ni  Ni8  1  0.698  0.893  0.900  1.0
  Ni  Ni9  1  0.302  0.107  0.100  1.0
  O  O10  1  0.050  0.082  0.844  1.0
  O  O11  1  0.325  0.696  0.942  1.0
  O  O12  1  0.135  0.321  0.541  1.0
  O  O13  1  0.221  0.488  0.230  1.0
  O  O14  1  0.438  0.889  0.658  1.0
  O  O15  1  0.562  0.111  0.342  1.0
  O  O16  1  0.779  0.512  0.770  1.0
  O  O17  1  0.865  0.679  0.459  1.0
  O  O18  1  0.675  0.304  0.058  1.0
  O  O19  1  0.950  0.918  0.156  1.0
[/CIF]
.
The compound described by Li5Ti2Ni3O10 is beta Polonium-derived structured and 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(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Ti(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 two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ti(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 4-11°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) 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(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TiO6 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 Ti(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 4-11°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(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 range from 4-6°. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) 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,  an edgeedge with one Li(3)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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ti(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2TiNi3 octahedra that share  a cornercorner with one O(1)Li2TiNi3 octahedra,  a cornercorner with one O(2)Li2TiNi3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra, corners with two equivalent O(5)Li4TiNi octahedra,  an edgeedge with one O(1)Li2TiNi3 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, edges with two equivalent O(5)Li4TiNi octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with four equivalent O(2)Li2TiNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to two equivalent Li(2), one Ti(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2TiNi3 octahedra that share  a cornercorner with one O(1)Li2TiNi3 octahedra,  a cornercorner with one O(2)Li2TiNi3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra,  a cornercorner with one O(5)Li4TiNi octahedra, corners with two equivalent O(3)Li4Ti2 octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra, edges with two equivalent O(2)Li2TiNi3 octahedra, edges with two equivalent O(5)Li4TiNi octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with four equivalent O(1)Li2TiNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Ti(1) atoms to form OLi4Ti2 octahedra that share  a cornercorner with one O(1)Li2TiNi3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiNi octahedra, corners with two equivalent O(2)Li2TiNi3 octahedra,  an edgeedge with one O(2)Li2TiNi3 octahedra, edges with two equivalent O(1)Li2TiNi3 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with four equivalent O(5)Li4TiNi octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(1)Li2TiNi3 octahedra,  a cornercorner with one O(2)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiNi octahedra, corners with two equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(1)Li2TiNi3 octahedra, edges with three equivalent O(2)Li2TiNi3 octahedra, edges with three equivalent O(3)Li4Ti2 octahedra, and edges with three equivalent O(5)Li4TiNi octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ni(2) atom to form OLi4TiNi octahedra that share  a cornercorner with one O(2)Li2TiNi3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiNi octahedra, corners with two equivalent O(1)Li2TiNi3 octahedra,  an edgeedge with one O(5)Li4TiNi octahedra, edges with two equivalent O(1)Li2TiNi3 octahedra, edges with two equivalent O(2)Li2TiNi3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with four equivalent O(3)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Ti2Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   5.137
_cell_length_c   7.732
_cell_angle_alpha   108.963
_cell_angle_beta   101.171
_cell_angle_gamma   100.734
_symmetry_Int_Tables_number   1
_cell_volume   181.095
_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  0.216  0.901  0.396  1.0
  Li  Li1  1  0.410  0.302  0.798  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.590  0.698  0.202  1.0
  Li  Li4  1  0.784  0.099  0.604  1.0
  Ti  Ti5  1  0.106  0.717  0.693  1.0
  Ti  Ti6  1  0.894  0.283  0.307  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  Ni  Ni8  1  0.698  0.893  0.900  1.0
  Ni  Ni9  1  0.302  0.107  0.100  1.0
  O  O10  1  0.050  0.082  0.844  1.0
  O  O11  1  0.325  0.696  0.942  1.0
  O  O12  1  0.135  0.321  0.541  1.0
  O  O13  1  0.221  0.488  0.230  1.0
  O  O14  1  0.438  0.889  0.658  1.0
  O  O15  1  0.562  0.111  0.342  1.0
  O  O16  1  0.779  0.512  0.770  1.0
  O  O17  1  0.865  0.679  0.459  1.0
  O  O18  1  0.675  0.304  0.058  1.0
  O  O19  1  0.950  0.918  0.156  1.0
[/CIF]
.