The crystal structure described by Li4Ti3Ni3(TeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. In the second Li site, Li(2) is bonded to one O(4), one O(5), and two equivalent O(12) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(6), and two equivalent O(9) atoms. In the fourth Li site, Li(4) is bonded to one O(1), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Te(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted TiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms to form NiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with four equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. In the second Ni site, Ni(2) is bonded to one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(10), and two equivalent O(9) atoms. In the second Te site, Te(2) is bonded to one O(5), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), two equivalent Ti(2), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(2), and one Ni(1) atom. In the third O site, O(3) is bonded in a tetrahedral geometry to one Li(3), two equivalent Ti(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Ti(1), and two equivalent Ni(2) atoms to form corner-sharing OLiTiNi2 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(2), and one Te(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Ni(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), and two equivalent Ni(2) atoms. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Ni(2), and one Te(2) atom to form distorted corner-sharing OLiNi2Te tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Ni(2), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(4), one Ti(2), one Ni(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ni(2), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Ni(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_Li4Ti3Ni3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.968
_cell_length_b   5.968
_cell_length_c   10.054
_cell_angle_alpha   89.639
_cell_angle_beta   89.639
_cell_angle_gamma   60.175
_symmetry_Int_Tables_number   1
_cell_volume   310.644
_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  0.337  0.337  0.091  1.0
  Li  Li1  1  0.003  0.003  0.016  1.0
  Li  Li2  1  0.996  0.997  0.509  1.0
  Li  Li3  1  0.669  0.669  0.596  1.0
  Ni  Ni4  1  0.171  0.172  0.798  1.0
  Ni  Ni5  1  0.343  0.828  0.279  1.0
  Ni  Ni6  1  0.828  0.343  0.279  1.0
  O  O7  1  0.489  0.489  0.683  1.0
  O  O8  1  0.345  0.345  0.896  1.0
  O  O9  1  0.998  0.998  0.706  1.0
  O  O10  1  0.993  0.993  0.197  1.0
  O  O11  1  0.831  0.831  0.912  1.0
  O  O12  1  0.159  0.159  0.403  1.0
  O  O13  1  0.679  0.679  0.389  1.0
  O  O14  1  0.521  0.521  0.145  1.0
  O  O15  1  0.156  0.658  0.388  1.0
  O  O16  1  0.658  0.156  0.388  1.0
  O  O17  1  0.019  0.511  0.677  1.0
  O  O18  1  0.511  0.019  0.677  1.0
  O  O19  1  0.531  0.961  0.143  1.0
  O  O20  1  0.961  0.531  0.143  1.0
  O  O21  1  0.339  0.831  0.916  1.0
  O  O22  1  0.831  0.339  0.916  1.0
  Te  Te23  1  0.326  0.326  0.489  1.0
  Te  Te24  1  0.663  0.663  0.015  1.0
  Ti  Ti25  1  0.827  0.827  0.276  1.0
  Ti  Ti26  1  0.168  0.646  0.781  1.0
  Ti  Ti27  1  0.646  0.168  0.781  1.0
[/CIF]
.
The crystal structure described by Li4Ti3Ni3(TeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. In the second Li site, Li(2) is bonded to one O(4), one O(5), and two equivalent O(12) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(6), and two equivalent O(9) atoms. In the fourth Li site, Li(4) is bonded to one O(1), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Te(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted TiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms to form NiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with four equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. In the second Ni site, Ni(2) is bonded to one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(10), and two equivalent O(9) atoms. In the second Te site, Te(2) is bonded to one O(5), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), two equivalent Ti(2), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(2), and one Ni(1) atom. In the third O site, O(3) is bonded in a tetrahedral geometry to one Li(3), two equivalent Ti(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Ti(1), and two equivalent Ni(2) atoms to form corner-sharing OLiTiNi2 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(2), and one Te(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Ni(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), and two equivalent Ni(2) atoms. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Ni(2), and one Te(2) atom to form distorted corner-sharing OLiNi2Te tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Ni(2), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(4), one Ti(2), one Ni(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ni(2), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Ni(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_Li4Ti3Ni3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.968
_cell_length_b   5.968
_cell_length_c   10.054
_cell_angle_alpha   89.639
_cell_angle_beta   89.639
_cell_angle_gamma   60.175
_symmetry_Int_Tables_number   1
_cell_volume   310.644
_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  0.337  0.337  0.091  1.0
  Li  Li1  1  0.003  0.003  0.016  1.0
  Li  Li2  1  0.996  0.997  0.509  1.0
  Li  Li3  1  0.669  0.669  0.596  1.0
  Ni  Ni4  1  0.171  0.172  0.798  1.0
  Ni  Ni5  1  0.343  0.828  0.279  1.0
  Ni  Ni6  1  0.828  0.343  0.279  1.0
  O  O7  1  0.489  0.489  0.683  1.0
  O  O8  1  0.345  0.345  0.896  1.0
  O  O9  1  0.998  0.998  0.706  1.0
  O  O10  1  0.993  0.993  0.197  1.0
  O  O11  1  0.831  0.831  0.912  1.0
  O  O12  1  0.159  0.159  0.403  1.0
  O  O13  1  0.679  0.679  0.389  1.0
  O  O14  1  0.521  0.521  0.145  1.0
  O  O15  1  0.156  0.658  0.388  1.0
  O  O16  1  0.658  0.156  0.388  1.0
  O  O17  1  0.019  0.511  0.677  1.0
  O  O18  1  0.511  0.019  0.677  1.0
  O  O19  1  0.531  0.961  0.143  1.0
  O  O20  1  0.961  0.531  0.143  1.0
  O  O21  1  0.339  0.831  0.916  1.0
  O  O22  1  0.831  0.339  0.916  1.0
  Te  Te23  1  0.326  0.326  0.489  1.0
  Te  Te24  1  0.663  0.663  0.015  1.0
  Ti  Ti25  1  0.827  0.827  0.276  1.0
  Ti  Ti26  1  0.168  0.646  0.781  1.0
  Ti  Ti27  1  0.646  0.168  0.781  1.0
[/CIF]
.