The material structure described by LiNi9O13 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second Ni site, Ni(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with four equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(3)O5 trigonal bipyramids, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. In the third Ni site, Ni(3) is bonded to one O(1), one O(5), one O(7), and two equivalent O(3) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(7)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O5 trigonal bipyramids, and edges with three equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-68°. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(12) atoms to form a mixture of distorted edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth Ni site, Ni(6) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 13-61°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O5 trigonal bipyramid, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and edges with three equivalent Ni(3)O5 trigonal bipyramids. In the eighth Ni site, Ni(8) is bonded to one O(12), one O(2), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the ninth Ni site, Ni(9) is bonded in a 6-coordinate geometry to one O(13), one O(3), two equivalent O(11), and two equivalent O(9) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(3), one Ni(7), and two equivalent Ni(2) atoms to form OLiNi4 trigonal bipyramids that share corners with two equivalent O(1)LiNi4 trigonal bipyramids, corners with three equivalent O(4)LiNi3 trigonal pyramids, edges with three equivalent O(5)LiNi4 trigonal bipyramids, and  an edgeedge with one O(4)LiNi3 trigonal pyramid. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ni(8) and two equivalent Ni(6) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(7), one Ni(9), and two equivalent Ni(3) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Ni(6), and two equivalent Ni(2) atoms to form distorted OLiNi3 trigonal pyramids that share  a cornercorner with one O(5)LiNi4 trigonal bipyramid, corners with three equivalent O(1)LiNi4 trigonal bipyramids, corners with two equivalent O(4)LiNi3 trigonal pyramids,  an edgeedge with one O(1)LiNi4 trigonal bipyramid, and  an edgeedge with one O(5)LiNi4 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(1), one Ni(2), one Ni(3), and two equivalent Ni(7) atoms to form distorted OLiNi4 trigonal bipyramids that share corners with two equivalent O(5)LiNi4 trigonal bipyramids,  a cornercorner with one O(4)LiNi3 trigonal pyramid, edges with three equivalent O(1)LiNi4 trigonal bipyramids, and  an edgeedge with one O(4)LiNi3 trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Ni(2), and two equivalent Ni(6) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ni(3) and two equivalent Ni(7) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ni(4), one Ni(6), and two equivalent Ni(8) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ni(5) and two equivalent Ni(9) atoms. In the tenth O site, O(10) is bonded to one Ni(1), two equivalent Ni(4), and two equivalent Ni(8) atoms to form ONi5 square pyramids that share corners with two equivalent O(12)Ni6 octahedra,  a cornercorner with one O(11)Ni5 square pyramid, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(12)Ni6 octahedra, and edges with two equivalent O(10)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 8-13°. In the eleventh O site, O(11) is bonded to one Ni(1), two equivalent Ni(5), and two equivalent Ni(9) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra,  a cornercorner with one O(10)Ni5 square pyramid, edges with two equivalent O(12)Ni6 octahedra, edges with three equivalent O(13)Ni6 octahedra, and edges with two equivalent O(11)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 9-10°. In the twelfth O site, O(12) is bonded to one Ni(5), one Ni(8), two equivalent Ni(1), and two equivalent Ni(4) atoms to form ONi6 octahedra that share corners with two equivalent O(13)Ni6 octahedra, corners with two equivalent O(10)Ni5 square pyramids, edges with two equivalent O(12)Ni6 octahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, and edges with three equivalent O(10)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 6-7°. In the thirteenth O site, O(13) is bonded to one Ni(4), one Ni(9), two equivalent Ni(1), and two equivalent Ni(5) atoms to form distorted ONi6 octahedra that share corners with two equivalent O(12)Ni6 octahedra, corners with two equivalent O(11)Ni5 square pyramids, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(12)Ni6 octahedra, edges with two equivalent O(10)Ni5 square pyramids, and edges with three equivalent O(11)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 6-7°. is represented by the CIF file [CIF]
data_LiNi9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.944
_cell_length_b   5.456
_cell_length_c   16.481
_cell_angle_alpha   109.369
_cell_angle_beta   85.927
_cell_angle_gamma   112.524
_symmetry_Int_Tables_number   1
_cell_volume   230.236
_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  0.749  0.712  0.030  1.0
  Ni  Ni1  1  0.580  0.020  0.506  1.0
  Ni  Ni2  1  0.590  0.215  0.044  1.0
  Ni  Ni3  1  0.022  0.638  0.866  1.0
  Ni  Ni4  1  0.804  0.479  0.414  1.0
  Ni  Ni5  1  0.342  0.573  0.588  1.0
  Ni  Ni6  1  0.549  0.843  0.183  1.0
  Ni  Ni7  1  0.118  0.164  0.878  1.0
  Ni  Ni8  1  0.048  0.943  0.345  1.0
  Ni  Ni9  1  0.133  0.148  0.678  1.0
  O  O10  1  0.947  0.970  0.964  1.0
  O  O11  1  0.922  0.702  0.233  1.0
  O  O12  1  0.335  0.389  0.804  1.0
  O  O13  1  0.277  0.478  0.090  1.0
  O  O14  1  0.796  0.399  0.940  1.0
  O  O15  1  0.203  0.976  0.127  1.0
  O  O16  1  0.427  0.922  0.820  1.0
  O  O17  1  0.667  0.139  0.310  1.0
  O  O18  1  0.468  0.907  0.690  1.0
  O  O19  1  0.457  0.728  0.390  1.0
  O  O20  1  0.734  0.321  0.622  1.0
  O  O21  1  0.215  0.234  0.462  1.0
  O  O22  1  0.951  0.764  0.537  1.0
[/CIF]
.
The material structure described by LiNi9O13 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second Ni site, Ni(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with four equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(3)O5 trigonal bipyramids, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. In the third Ni site, Ni(3) is bonded to one O(1), one O(5), one O(7), and two equivalent O(3) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(7)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O5 trigonal bipyramids, and edges with three equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-68°. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(12) atoms to form a mixture of distorted edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth Ni site, Ni(6) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 13-61°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O5 trigonal bipyramid, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and edges with three equivalent Ni(3)O5 trigonal bipyramids. In the eighth Ni site, Ni(8) is bonded to one O(12), one O(2), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the ninth Ni site, Ni(9) is bonded in a 6-coordinate geometry to one O(13), one O(3), two equivalent O(11), and two equivalent O(9) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(3), one Ni(7), and two equivalent Ni(2) atoms to form OLiNi4 trigonal bipyramids that share corners with two equivalent O(1)LiNi4 trigonal bipyramids, corners with three equivalent O(4)LiNi3 trigonal pyramids, edges with three equivalent O(5)LiNi4 trigonal bipyramids, and  an edgeedge with one O(4)LiNi3 trigonal pyramid. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ni(8) and two equivalent Ni(6) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(7), one Ni(9), and two equivalent Ni(3) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Ni(6), and two equivalent Ni(2) atoms to form distorted OLiNi3 trigonal pyramids that share  a cornercorner with one O(5)LiNi4 trigonal bipyramid, corners with three equivalent O(1)LiNi4 trigonal bipyramids, corners with two equivalent O(4)LiNi3 trigonal pyramids,  an edgeedge with one O(1)LiNi4 trigonal bipyramid, and  an edgeedge with one O(5)LiNi4 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(1), one Ni(2), one Ni(3), and two equivalent Ni(7) atoms to form distorted OLiNi4 trigonal bipyramids that share corners with two equivalent O(5)LiNi4 trigonal bipyramids,  a cornercorner with one O(4)LiNi3 trigonal pyramid, edges with three equivalent O(1)LiNi4 trigonal bipyramids, and  an edgeedge with one O(4)LiNi3 trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Ni(2), and two equivalent Ni(6) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ni(3) and two equivalent Ni(7) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ni(4), one Ni(6), and two equivalent Ni(8) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ni(5) and two equivalent Ni(9) atoms. In the tenth O site, O(10) is bonded to one Ni(1), two equivalent Ni(4), and two equivalent Ni(8) atoms to form ONi5 square pyramids that share corners with two equivalent O(12)Ni6 octahedra,  a cornercorner with one O(11)Ni5 square pyramid, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(12)Ni6 octahedra, and edges with two equivalent O(10)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 8-13°. In the eleventh O site, O(11) is bonded to one Ni(1), two equivalent Ni(5), and two equivalent Ni(9) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra,  a cornercorner with one O(10)Ni5 square pyramid, edges with two equivalent O(12)Ni6 octahedra, edges with three equivalent O(13)Ni6 octahedra, and edges with two equivalent O(11)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 9-10°. In the twelfth O site, O(12) is bonded to one Ni(5), one Ni(8), two equivalent Ni(1), and two equivalent Ni(4) atoms to form ONi6 octahedra that share corners with two equivalent O(13)Ni6 octahedra, corners with two equivalent O(10)Ni5 square pyramids, edges with two equivalent O(12)Ni6 octahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, and edges with three equivalent O(10)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 6-7°. In the thirteenth O site, O(13) is bonded to one Ni(4), one Ni(9), two equivalent Ni(1), and two equivalent Ni(5) atoms to form distorted ONi6 octahedra that share corners with two equivalent O(12)Ni6 octahedra, corners with two equivalent O(11)Ni5 square pyramids, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(12)Ni6 octahedra, edges with two equivalent O(10)Ni5 square pyramids, and edges with three equivalent O(11)Ni5 square pyramids. The corner-sharing octahedral tilt angles range from 6-7°. is represented by the CIF file [CIF]
data_LiNi9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.944
_cell_length_b   5.456
_cell_length_c   16.481
_cell_angle_alpha   109.369
_cell_angle_beta   85.927
_cell_angle_gamma   112.524
_symmetry_Int_Tables_number   1
_cell_volume   230.236
_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  0.749  0.712  0.030  1.0
  Ni  Ni1  1  0.580  0.020  0.506  1.0
  Ni  Ni2  1  0.590  0.215  0.044  1.0
  Ni  Ni3  1  0.022  0.638  0.866  1.0
  Ni  Ni4  1  0.804  0.479  0.414  1.0
  Ni  Ni5  1  0.342  0.573  0.588  1.0
  Ni  Ni6  1  0.549  0.843  0.183  1.0
  Ni  Ni7  1  0.118  0.164  0.878  1.0
  Ni  Ni8  1  0.048  0.943  0.345  1.0
  Ni  Ni9  1  0.133  0.148  0.678  1.0
  O  O10  1  0.947  0.970  0.964  1.0
  O  O11  1  0.922  0.702  0.233  1.0
  O  O12  1  0.335  0.389  0.804  1.0
  O  O13  1  0.277  0.478  0.090  1.0
  O  O14  1  0.796  0.399  0.940  1.0
  O  O15  1  0.203  0.976  0.127  1.0
  O  O16  1  0.427  0.922  0.820  1.0
  O  O17  1  0.667  0.139  0.310  1.0
  O  O18  1  0.468  0.907  0.690  1.0
  O  O19  1  0.457  0.728  0.390  1.0
  O  O20  1  0.734  0.321  0.622  1.0
  O  O21  1  0.215  0.234  0.462  1.0
  O  O22  1  0.951  0.764  0.537  1.0
[/CIF]
.