The structure described by Li4TiNi3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 5-9°. In the sixth Li site, Li(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)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 6-11°. Ti(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, edges with three equivalent O(6)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(6), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(5)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Ti(1), one Ni(2), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(3)Li3TiNi2 octahedra, corners with three equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(6)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), one Ti(1), one Ni(3), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(3)Li3TiNi2 octahedra, corners with three equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(5)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(6), one Ti(1), one Ni(4), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(5)Li3TiNi2 octahedra, corners with three equivalent O(6)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Ti(1), one Ni(1), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(5)Li3TiNi2 octahedra, corners with three equivalent O(6)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(7)Li3TiNi2 octahedra, corners with three equivalent O(8)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, and edges with three equivalent O(6)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Ni(3), and one Ni(4) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(7)Li3TiNi2 octahedra, corners with three equivalent O(8)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with three equivalent O(5)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Li4TiNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.840
_cell_length_b   10.197
_cell_length_c   5.942
_cell_angle_alpha   106.966
_cell_angle_beta   119.920
_cell_angle_gamma   90.647
_symmetry_Int_Tables_number   1
_cell_volume   288.061
_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  0.250  0.750  0.500  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Li  Li2  1  0.996  0.996  0.493  1.0
  Li  Li3  1  0.504  0.504  0.507  1.0
  Li  Li4  1  0.498  1.000  0.497  1.0
  Li  Li5  1  0.002  0.500  0.503  1.0
  Li  Li6  1  0.750  0.750  0.500  1.0
  Li  Li7  1  0.250  0.250  0.500  1.0
  Ti  Ti8  1  0.493  0.504  0.013  1.0
  Ti  Ti9  1  0.006  0.996  0.987  1.0
  Ni  Ni10  1  0.250  0.750  0.000  1.0
  Ni  Ni11  1  0.750  0.750  1.000  1.0
  Ni  Ni12  1  0.250  0.250  0.000  1.0
  Ni  Ni13  1  0.750  0.250  0.000  1.0
  Ni  Ni14  1  0.996  0.499  0.002  1.0
  Ni  Ni15  1  0.504  0.001  0.999  1.0
  O  O16  1  0.874  0.631  0.784  1.0
  O  O17  1  0.393  0.138  0.788  1.0
  O  O18  1  0.107  0.362  0.212  1.0
  O  O19  1  0.626  0.869  0.215  1.0
  O  O20  1  0.640  0.886  0.756  1.0
  O  O21  1  0.137  0.385  0.761  1.0
  O  O22  1  0.363  0.115  0.239  1.0
  O  O23  1  0.860  0.614  0.244  1.0
  O  O24  1  0.870  0.129  0.216  1.0
  O  O25  1  0.375  0.619  0.239  1.0
  O  O26  1  0.125  0.881  0.761  1.0
  O  O27  1  0.631  0.371  0.784  1.0
  O  O28  1  0.401  0.623  0.775  1.0
  O  O29  1  0.906  0.126  0.768  1.0
  O  O30  1  0.595  0.374  0.232  1.0
  O  O31  1  0.099  0.877  0.225  1.0
[/CIF]
.
The structure described by Li4TiNi3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 5-9°. In the sixth Li site, Li(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)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 6-11°. Ti(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, edges with three equivalent O(6)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(6), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(5)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Ti(1), one Ni(2), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(3)Li3TiNi2 octahedra, corners with three equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(6)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), one Ti(1), one Ni(3), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(3)Li3TiNi2 octahedra, corners with three equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(5)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(6), one Ti(1), one Ni(4), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(5)Li3TiNi2 octahedra, corners with three equivalent O(6)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Ti(1), one Ni(1), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(5)Li3TiNi2 octahedra, corners with three equivalent O(6)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(7)Li3TiNi2 octahedra, corners with three equivalent O(8)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, and edges with three equivalent O(6)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Ni(3), and one Ni(4) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(7)Li3TiNi2 octahedra, corners with three equivalent O(8)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with three equivalent O(5)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Li4TiNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.840
_cell_length_b   10.197
_cell_length_c   5.942
_cell_angle_alpha   106.966
_cell_angle_beta   119.920
_cell_angle_gamma   90.647
_symmetry_Int_Tables_number   1
_cell_volume   288.061
_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  0.250  0.750  0.500  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Li  Li2  1  0.996  0.996  0.493  1.0
  Li  Li3  1  0.504  0.504  0.507  1.0
  Li  Li4  1  0.498  1.000  0.497  1.0
  Li  Li5  1  0.002  0.500  0.503  1.0
  Li  Li6  1  0.750  0.750  0.500  1.0
  Li  Li7  1  0.250  0.250  0.500  1.0
  Ti  Ti8  1  0.493  0.504  0.013  1.0
  Ti  Ti9  1  0.006  0.996  0.987  1.0
  Ni  Ni10  1  0.250  0.750  0.000  1.0
  Ni  Ni11  1  0.750  0.750  1.000  1.0
  Ni  Ni12  1  0.250  0.250  0.000  1.0
  Ni  Ni13  1  0.750  0.250  0.000  1.0
  Ni  Ni14  1  0.996  0.499  0.002  1.0
  Ni  Ni15  1  0.504  0.001  0.999  1.0
  O  O16  1  0.874  0.631  0.784  1.0
  O  O17  1  0.393  0.138  0.788  1.0
  O  O18  1  0.107  0.362  0.212  1.0
  O  O19  1  0.626  0.869  0.215  1.0
  O  O20  1  0.640  0.886  0.756  1.0
  O  O21  1  0.137  0.385  0.761  1.0
  O  O22  1  0.363  0.115  0.239  1.0
  O  O23  1  0.860  0.614  0.244  1.0
  O  O24  1  0.870  0.129  0.216  1.0
  O  O25  1  0.375  0.619  0.239  1.0
  O  O26  1  0.125  0.881  0.761  1.0
  O  O27  1  0.631  0.371  0.784  1.0
  O  O28  1  0.401  0.623  0.775  1.0
  O  O29  1  0.906  0.126  0.768  1.0
  O  O30  1  0.595  0.374  0.232  1.0
  O  O31  1  0.099  0.877  0.225  1.0
[/CIF]
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