The material described by Li2NiTi3O8 is Spinel-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(7), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Li site, Li(2) is bonded to one O(2), one O(8), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the third Li site, Li(3) is bonded to one O(7), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the fourth Li site, Li(4) is bonded to one O(10), one O(8), two equivalent O(12), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(11), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), two equivalent O(12), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(9), and two equivalent O(12) atoms to form NiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the second Ni site, Ni(2) is bonded to one O(10), one O(4), and two equivalent O(11) atoms to form NiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Ti(3) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent Ti(4) atoms. In the third O site, O(3) is bonded to one Ti(1), two equivalent Ti(4), and one Ni(1) atom to form distorted OTi3Ni trigonal pyramids that share corners with two equivalent O(5)Li2Ti2 trigonal pyramids, corners with two equivalent O(6)Li2Ti2 trigonal pyramids, corners with two equivalent O(8)Li2Ti2 trigonal pyramids, corners with two equivalent O(12)LiTi2Ni trigonal pyramids, and edges with two equivalent O(11)LiTi2Ni trigonal pyramids. In the fourth O site, O(4) is bonded to one Ti(2), two equivalent Ti(3), and one Ni(2) atom to form distorted OTi3Ni trigonal pyramids that share  a cornercorner with one O(10)LiTi2Ni trigonal pyramid, corners with two equivalent O(5)Li2Ti2 trigonal pyramids, corners with two equivalent O(6)Li2Ti2 trigonal pyramids, corners with two equivalent O(7)Li2Ti2 trigonal pyramids, corners with two equivalent O(11)LiTi2Ni trigonal pyramids,  an edgeedge with one O(10)LiTi2Ni trigonal pyramid, and edges with two equivalent O(12)LiTi2Ni trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ti(1), and one Ti(3) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(5)Li2Ti2 trigonal pyramid,  a cornercorner with one O(8)Li2Ti2 trigonal pyramid,  a cornercorner with one O(10)LiTi2Ni trigonal pyramid,  a cornercorner with one O(12)LiTi2Ni trigonal pyramid,  a cornercorner with one O(3)Ti3Ni trigonal pyramid,  a cornercorner with one O(4)Ti3Ni trigonal pyramid, corners with four equivalent O(11)LiTi2Ni trigonal pyramids,  an edgeedge with one O(5)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(7)Li2Ti2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Ti(2), and one Ti(4) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(6)Li2Ti2 trigonal pyramid,  a cornercorner with one O(7)Li2Ti2 trigonal pyramid,  a cornercorner with one O(10)LiTi2Ni trigonal pyramid,  a cornercorner with one O(11)LiTi2Ni trigonal pyramid,  a cornercorner with one O(3)Ti3Ni trigonal pyramid,  a cornercorner with one O(4)Ti3Ni trigonal pyramid, corners with four equivalent O(12)LiTi2Ni trigonal pyramids,  an edgeedge with one O(6)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(8)Li2Ti2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), and two equivalent Ti(3) atoms to form distorted OLi2Ti2 trigonal pyramids that share corners with two equivalent O(6)Li2Ti2 trigonal pyramids, corners with two equivalent O(10)LiTi2Ni trigonal pyramids, corners with two equivalent O(11)LiTi2Ni trigonal pyramids, corners with two equivalent O(12)LiTi2Ni trigonal pyramids, corners with two equivalent O(4)Ti3Ni trigonal pyramids, and edges with two equivalent O(5)Li2Ti2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), and two equivalent Ti(4) atoms to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(10)LiTi2Ni trigonal pyramid, corners with two equivalent O(5)Li2Ti2 trigonal pyramids, corners with two equivalent O(11)LiTi2Ni trigonal pyramids, corners with two equivalent O(12)LiTi2Ni trigonal pyramids, corners with two equivalent O(3)Ti3Ni trigonal pyramids, and edges with two equivalent O(6)Li2Ti2 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Ti(4), and one Ni(1) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Ti(3), and one Ni(2) atom to form distorted OLiTi2Ni trigonal pyramids that share  a cornercorner with one O(8)Li2Ti2 trigonal pyramid,  a cornercorner with one O(4)Ti3Ni trigonal pyramid, corners with two equivalent O(5)Li2Ti2 trigonal pyramids, corners with two equivalent O(6)Li2Ti2 trigonal pyramids, corners with two equivalent O(7)Li2Ti2 trigonal pyramids, corners with two equivalent O(11)LiTi2Ni trigonal pyramids,  an edgeedge with one O(4)Ti3Ni trigonal pyramid, and edges with two equivalent O(12)LiTi2Ni trigonal pyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Ti(1), one Ti(4), and one Ni(2) atom to form distorted OLiTi2Ni trigonal pyramids that share  a cornercorner with one O(6)Li2Ti2 trigonal pyramid,  a cornercorner with one O(7)Li2Ti2 trigonal pyramid,  a cornercorner with one O(8)Li2Ti2 trigonal pyramid,  a cornercorner with one O(10)LiTi2Ni trigonal pyramid,  a cornercorner with one O(11)LiTi2Ni trigonal pyramid,  a cornercorner with one O(4)Ti3Ni trigonal pyramid, corners with four equivalent O(5)Li2Ti2 trigonal pyramids,  an edgeedge with one O(11)LiTi2Ni trigonal pyramid, and  an edgeedge with one O(3)Ti3Ni trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(4), one Ti(2), one Ti(3), and one Ni(1) atom to form distorted OLiTi2Ni trigonal pyramids that share  a cornercorner with one O(5)Li2Ti2 trigonal pyramid,  a cornercorner with one O(7)Li2Ti2 trigonal pyramid,  a cornercorner with one O(8)Li2Ti2 trigonal pyramid,  a cornercorner with one O(12)LiTi2Ni trigonal pyramid,  a cornercorner with one O(3)Ti3Ni trigonal pyramid, corners with four equivalent O(6)Li2Ti2 trigonal pyramids,  an edgeedge with one O(10)LiTi2Ni trigonal pyramid,  an edgeedge with one O(12)LiTi2Ni trigonal pyramid, and  an edgeedge with one O(4)Ti3Ni trigonal pyramid. is represented by the CIF card [CIF]
data_Li2Ti3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.965
_cell_length_b   5.968
_cell_length_c   5.991
_cell_angle_alpha   60.123
_cell_angle_beta   60.141
_cell_angle_gamma   60.017
_symmetry_Int_Tables_number   1
_cell_volume   151.140
_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  0.881  0.881  0.356  1.0
  Li  Li1  1  0.499  0.499  0.503  1.0
  Ni  Ni2  1  0.118  0.118  0.647  1.0
  O  O3  1  0.740  0.740  0.779  1.0
  O  O4  1  0.260  0.260  0.221  1.0
  O  O5  1  0.292  0.749  0.210  1.0
  O  O6  1  0.749  0.749  0.210  1.0
  O  O7  1  0.748  0.292  0.211  1.0
  O  O8  1  0.251  0.714  0.783  1.0
  O  O9  1  0.251  0.250  0.784  1.0
  O  O10  1  0.714  0.251  0.784  1.0
  Ti  Ti11  1  0.502  0.993  0.004  1.0
  Ti  Ti12  1  0.501  0.502  0.004  1.0
  Ti  Ti13  1  0.993  0.502  0.004  1.0
[/CIF]
.
The material described by Li2NiTi3O8 is Spinel-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(7), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Li site, Li(2) is bonded to one O(2), one O(8), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the third Li site, Li(3) is bonded to one O(7), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the fourth Li site, Li(4) is bonded to one O(10), one O(8), two equivalent O(12), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(11), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), two equivalent O(12), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(9), and two equivalent O(12) atoms to form NiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the second Ni site, Ni(2) is bonded to one O(10), one O(4), and two equivalent O(11) atoms to form NiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Ti(3) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent Ti(4) atoms. In the third O site, O(3) is bonded to one Ti(1), two equivalent Ti(4), and one Ni(1) atom to form distorted OTi3Ni trigonal pyramids that share corners with two equivalent O(5)Li2Ti2 trigonal pyramids, corners with two equivalent O(6)Li2Ti2 trigonal pyramids, corners with two equivalent O(8)Li2Ti2 trigonal pyramids, corners with two equivalent O(12)LiTi2Ni trigonal pyramids, and edges with two equivalent O(11)LiTi2Ni trigonal pyramids. In the fourth O site, O(4) is bonded to one Ti(2), two equivalent Ti(3), and one Ni(2) atom to form distorted OTi3Ni trigonal pyramids that share  a cornercorner with one O(10)LiTi2Ni trigonal pyramid, corners with two equivalent O(5)Li2Ti2 trigonal pyramids, corners with two equivalent O(6)Li2Ti2 trigonal pyramids, corners with two equivalent O(7)Li2Ti2 trigonal pyramids, corners with two equivalent O(11)LiTi2Ni trigonal pyramids,  an edgeedge with one O(10)LiTi2Ni trigonal pyramid, and edges with two equivalent O(12)LiTi2Ni trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ti(1), and one Ti(3) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(5)Li2Ti2 trigonal pyramid,  a cornercorner with one O(8)Li2Ti2 trigonal pyramid,  a cornercorner with one O(10)LiTi2Ni trigonal pyramid,  a cornercorner with one O(12)LiTi2Ni trigonal pyramid,  a cornercorner with one O(3)Ti3Ni trigonal pyramid,  a cornercorner with one O(4)Ti3Ni trigonal pyramid, corners with four equivalent O(11)LiTi2Ni trigonal pyramids,  an edgeedge with one O(5)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(7)Li2Ti2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Ti(2), and one Ti(4) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(6)Li2Ti2 trigonal pyramid,  a cornercorner with one O(7)Li2Ti2 trigonal pyramid,  a cornercorner with one O(10)LiTi2Ni trigonal pyramid,  a cornercorner with one O(11)LiTi2Ni trigonal pyramid,  a cornercorner with one O(3)Ti3Ni trigonal pyramid,  a cornercorner with one O(4)Ti3Ni trigonal pyramid, corners with four equivalent O(12)LiTi2Ni trigonal pyramids,  an edgeedge with one O(6)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(8)Li2Ti2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), and two equivalent Ti(3) atoms to form distorted OLi2Ti2 trigonal pyramids that share corners with two equivalent O(6)Li2Ti2 trigonal pyramids, corners with two equivalent O(10)LiTi2Ni trigonal pyramids, corners with two equivalent O(11)LiTi2Ni trigonal pyramids, corners with two equivalent O(12)LiTi2Ni trigonal pyramids, corners with two equivalent O(4)Ti3Ni trigonal pyramids, and edges with two equivalent O(5)Li2Ti2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), and two equivalent Ti(4) atoms to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(10)LiTi2Ni trigonal pyramid, corners with two equivalent O(5)Li2Ti2 trigonal pyramids, corners with two equivalent O(11)LiTi2Ni trigonal pyramids, corners with two equivalent O(12)LiTi2Ni trigonal pyramids, corners with two equivalent O(3)Ti3Ni trigonal pyramids, and edges with two equivalent O(6)Li2Ti2 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Ti(4), and one Ni(1) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Ti(3), and one Ni(2) atom to form distorted OLiTi2Ni trigonal pyramids that share  a cornercorner with one O(8)Li2Ti2 trigonal pyramid,  a cornercorner with one O(4)Ti3Ni trigonal pyramid, corners with two equivalent O(5)Li2Ti2 trigonal pyramids, corners with two equivalent O(6)Li2Ti2 trigonal pyramids, corners with two equivalent O(7)Li2Ti2 trigonal pyramids, corners with two equivalent O(11)LiTi2Ni trigonal pyramids,  an edgeedge with one O(4)Ti3Ni trigonal pyramid, and edges with two equivalent O(12)LiTi2Ni trigonal pyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Ti(1), one Ti(4), and one Ni(2) atom to form distorted OLiTi2Ni trigonal pyramids that share  a cornercorner with one O(6)Li2Ti2 trigonal pyramid,  a cornercorner with one O(7)Li2Ti2 trigonal pyramid,  a cornercorner with one O(8)Li2Ti2 trigonal pyramid,  a cornercorner with one O(10)LiTi2Ni trigonal pyramid,  a cornercorner with one O(11)LiTi2Ni trigonal pyramid,  a cornercorner with one O(4)Ti3Ni trigonal pyramid, corners with four equivalent O(5)Li2Ti2 trigonal pyramids,  an edgeedge with one O(11)LiTi2Ni trigonal pyramid, and  an edgeedge with one O(3)Ti3Ni trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(4), one Ti(2), one Ti(3), and one Ni(1) atom to form distorted OLiTi2Ni trigonal pyramids that share  a cornercorner with one O(5)Li2Ti2 trigonal pyramid,  a cornercorner with one O(7)Li2Ti2 trigonal pyramid,  a cornercorner with one O(8)Li2Ti2 trigonal pyramid,  a cornercorner with one O(12)LiTi2Ni trigonal pyramid,  a cornercorner with one O(3)Ti3Ni trigonal pyramid, corners with four equivalent O(6)Li2Ti2 trigonal pyramids,  an edgeedge with one O(10)LiTi2Ni trigonal pyramid,  an edgeedge with one O(12)LiTi2Ni trigonal pyramid, and  an edgeedge with one O(4)Ti3Ni trigonal pyramid. is represented by the CIF card [CIF]
data_Li2Ti3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.965
_cell_length_b   5.968
_cell_length_c   5.991
_cell_angle_alpha   60.123
_cell_angle_beta   60.141
_cell_angle_gamma   60.017
_symmetry_Int_Tables_number   1
_cell_volume   151.140
_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  0.881  0.881  0.356  1.0
  Li  Li1  1  0.499  0.499  0.503  1.0
  Ni  Ni2  1  0.118  0.118  0.647  1.0
  O  O3  1  0.740  0.740  0.779  1.0
  O  O4  1  0.260  0.260  0.221  1.0
  O  O5  1  0.292  0.749  0.210  1.0
  O  O6  1  0.749  0.749  0.210  1.0
  O  O7  1  0.748  0.292  0.211  1.0
  O  O8  1  0.251  0.714  0.783  1.0
  O  O9  1  0.251  0.250  0.784  1.0
  O  O10  1  0.714  0.251  0.784  1.0
  Ti  Ti11  1  0.502  0.993  0.004  1.0
  Ti  Ti12  1  0.501  0.502  0.004  1.0
  Ti  Ti13  1  0.993  0.502  0.004  1.0
[/CIF]
.