The material described by LiNi9O13 crystallizes in the triclinic P1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(8), and two equivalent O(2) atoms. 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 8-11°. 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 NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the third Ni site, Ni(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. 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 distorted NiO6 octahedra that share  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. 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 8-14°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Ni(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-15°. 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 a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-59°. In the eighth Ni site, Ni(8) is bonded to one O(2), two equivalent O(6), and two equivalent O(8) atoms to form NiO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O5 square pyramids, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(3), two equivalent O(11), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Ni(6), one Ni(7), two equivalent Ni(2), and two equivalent Ni(3) atoms to form ONi6 octahedra that share corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(5)Ni5 square pyramids,  a cornercorner with one O(2)Li2Ni2 trigonal pyramid, edges with two equivalent O(1)Ni6 octahedra, edges with three equivalent O(4)Ni5 square pyramids, edges with three equivalent O(5)Ni5 square pyramids, and edges with two equivalent O(6)Ni5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(6), and one Ni(8) atom to form OLi2Ni2 trigonal pyramids that share  a cornercorner with one O(1)Ni6 octahedra, corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(10)LiNi3 tetrahedra, corners with two equivalent O(2)Li2Ni2 trigonal pyramids, edges with two equivalent O(6)Ni5 trigonal bipyramids, and edges with two equivalent O(8)LiNi3 trigonal pyramids. The corner-sharing octahedral tilt angles are 17°. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(7) and one Ni(9) atom. In the fourth O site, O(4) is bonded to one Ni(3), two equivalent Ni(2), and two equivalent Ni(6) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(6)Ni5 trigonal bipyramids, corners with two equivalent O(2)Li2Ni2 trigonal pyramids, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, edges with two equivalent O(5)Ni5 square pyramids, and  an edgeedge with one O(6)Ni5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 11°. In the fifth O site, O(5) is bonded to one Ni(2), two equivalent Ni(3), and two equivalent Ni(7) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra,  a cornercorner with one O(6)Ni5 trigonal bipyramid, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, and edges with two equivalent O(5)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the sixth O site, O(6) is bonded to one Ni(2), two equivalent Ni(6), and two equivalent Ni(8) atoms to form distorted ONi5 trigonal bipyramids that share  a cornercorner with one O(5)Ni5 square pyramid, corners with four equivalent O(4)Ni5 square pyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids, edges with two equivalent O(1)Ni6 octahedra,  an edgeedge with one O(4)Ni5 square pyramid, edges with two equivalent O(6)Ni5 trigonal bipyramids,  an edgeedge with one O(8)LiNi3 trigonal pyramid, and edges with two equivalent O(2)Li2Ni2 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(7) atoms. In the eighth O site, O(8) is bonded to one Li(1), one Ni(4), and two equivalent Ni(8) atoms to form OLiNi3 trigonal pyramids that share  a cornercorner with one O(13)Ni6 octahedra, corners with two equivalent O(12)Ni5 square pyramids, corners with three equivalent O(10)LiNi3 tetrahedra, corners with two equivalent O(6)Ni5 trigonal bipyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids,  an edgeedge with one O(6)Ni5 trigonal bipyramid, and edges with two equivalent O(2)Li2Ni2 trigonal pyramids. The corner-sharing octahedral tilt angles are 7°. In the ninth O site, O(9) is bonded in a distorted 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 Li(1), one Ni(1), and two equivalent Ni(4) atoms to form OLiNi3 tetrahedra that share  a cornercorner with one O(11)Ni5 square pyramid, corners with four equivalent O(12)Ni5 square pyramids, corners with two equivalent O(10)LiNi3 tetrahedra, corners with two equivalent O(2)Li2Ni2 trigonal pyramids, corners with three equivalent O(8)LiNi3 trigonal pyramids, edges with two equivalent O(13)Ni6 octahedra, and  an edgeedge with one O(12)Ni5 square pyramid. 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)LiNi3 tetrahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, and edges with two equivalent O(12)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the twelfth O site, O(12) is bonded to one Ni(5), two equivalent Ni(1), and two equivalent Ni(4) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra, corners with four equivalent O(10)LiNi3 tetrahedra, corners with two equivalent O(8)LiNi3 trigonal pyramids, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, edges with two equivalent O(12)Ni5 square pyramids, and  an edgeedge with one O(10)LiNi3 tetrahedra. The corner-sharing octahedral tilt angles are 10°. 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 ONi6 octahedra that share corners with two equivalent O(11)Ni5 square pyramids, corners with two equivalent O(12)Ni5 square pyramids,  a cornercorner with one O(8)LiNi3 trigonal pyramid, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(11)Ni5 square pyramids, edges with three equivalent O(12)Ni5 square pyramids, and edges with two equivalent O(10)LiNi3 tetrahedra. is represented by the CIF file [CIF]
data_LiNi9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.889
_cell_length_b   5.187
_cell_length_c   16.172
_cell_angle_alpha   98.833
_cell_angle_beta   90.043
_cell_angle_gamma   106.162
_symmetry_Int_Tables_number   1
_cell_volume   229.738
_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  0.433  0.865  0.315  1.0
  Ni  Ni1  1  0.494  0.992  0.516  1.0
  Ni  Ni2  1  0.645  0.286  0.042  1.0
  Ni  Ni3  1  0.347  0.690  0.952  1.0
  Ni  Ni4  1  0.738  0.480  0.435  1.0
  Ni  Ni5  1  0.249  0.501  0.607  1.0
  Ni  Ni6  1  0.923  0.842  0.117  1.0
  Ni  Ni7  1  0.060  0.117  0.878  1.0
  Ni  Ni8  1  0.114  0.231  0.240  1.0
  Ni  Ni9  1  0.004  0.009  0.678  1.0
  O  O10  1  0.996  0.987  0.994  1.0
  O  O11  1  0.914  0.827  0.236  1.0
  O  O12  1  0.122  0.244  0.777  1.0
  O  O13  1  0.293  0.582  0.065  1.0
  O  O14  1  0.692  0.385  0.925  1.0
  O  O15  1  0.585  0.169  0.154  1.0
  O  O16  1  0.435  0.863  0.852  1.0
  O  O17  1  0.639  0.282  0.318  1.0
  O  O18  1  0.396  0.792  0.707  1.0
  O  O19  1  0.357  0.718  0.416  1.0
  O  O20  1  0.611  0.224  0.628  1.0
  O  O21  1  0.133  0.270  0.484  1.0
  O  O22  1  0.883  0.768  0.568  1.0
[/CIF]
.
The material described by LiNi9O13 crystallizes in the triclinic P1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(8), and two equivalent O(2) atoms. 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 8-11°. 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 NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the third Ni site, Ni(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. 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 distorted NiO6 octahedra that share  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. 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 8-14°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Ni(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-15°. 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 a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-59°. In the eighth Ni site, Ni(8) is bonded to one O(2), two equivalent O(6), and two equivalent O(8) atoms to form NiO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O5 square pyramids, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(3), two equivalent O(11), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Ni(6), one Ni(7), two equivalent Ni(2), and two equivalent Ni(3) atoms to form ONi6 octahedra that share corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(5)Ni5 square pyramids,  a cornercorner with one O(2)Li2Ni2 trigonal pyramid, edges with two equivalent O(1)Ni6 octahedra, edges with three equivalent O(4)Ni5 square pyramids, edges with three equivalent O(5)Ni5 square pyramids, and edges with two equivalent O(6)Ni5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(6), and one Ni(8) atom to form OLi2Ni2 trigonal pyramids that share  a cornercorner with one O(1)Ni6 octahedra, corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(10)LiNi3 tetrahedra, corners with two equivalent O(2)Li2Ni2 trigonal pyramids, edges with two equivalent O(6)Ni5 trigonal bipyramids, and edges with two equivalent O(8)LiNi3 trigonal pyramids. The corner-sharing octahedral tilt angles are 17°. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(7) and one Ni(9) atom. In the fourth O site, O(4) is bonded to one Ni(3), two equivalent Ni(2), and two equivalent Ni(6) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(6)Ni5 trigonal bipyramids, corners with two equivalent O(2)Li2Ni2 trigonal pyramids, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, edges with two equivalent O(5)Ni5 square pyramids, and  an edgeedge with one O(6)Ni5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 11°. In the fifth O site, O(5) is bonded to one Ni(2), two equivalent Ni(3), and two equivalent Ni(7) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra,  a cornercorner with one O(6)Ni5 trigonal bipyramid, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, and edges with two equivalent O(5)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the sixth O site, O(6) is bonded to one Ni(2), two equivalent Ni(6), and two equivalent Ni(8) atoms to form distorted ONi5 trigonal bipyramids that share  a cornercorner with one O(5)Ni5 square pyramid, corners with four equivalent O(4)Ni5 square pyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids, edges with two equivalent O(1)Ni6 octahedra,  an edgeedge with one O(4)Ni5 square pyramid, edges with two equivalent O(6)Ni5 trigonal bipyramids,  an edgeedge with one O(8)LiNi3 trigonal pyramid, and edges with two equivalent O(2)Li2Ni2 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(7) atoms. In the eighth O site, O(8) is bonded to one Li(1), one Ni(4), and two equivalent Ni(8) atoms to form OLiNi3 trigonal pyramids that share  a cornercorner with one O(13)Ni6 octahedra, corners with two equivalent O(12)Ni5 square pyramids, corners with three equivalent O(10)LiNi3 tetrahedra, corners with two equivalent O(6)Ni5 trigonal bipyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids,  an edgeedge with one O(6)Ni5 trigonal bipyramid, and edges with two equivalent O(2)Li2Ni2 trigonal pyramids. The corner-sharing octahedral tilt angles are 7°. In the ninth O site, O(9) is bonded in a distorted 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 Li(1), one Ni(1), and two equivalent Ni(4) atoms to form OLiNi3 tetrahedra that share  a cornercorner with one O(11)Ni5 square pyramid, corners with four equivalent O(12)Ni5 square pyramids, corners with two equivalent O(10)LiNi3 tetrahedra, corners with two equivalent O(2)Li2Ni2 trigonal pyramids, corners with three equivalent O(8)LiNi3 trigonal pyramids, edges with two equivalent O(13)Ni6 octahedra, and  an edgeedge with one O(12)Ni5 square pyramid. 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)LiNi3 tetrahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, and edges with two equivalent O(12)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the twelfth O site, O(12) is bonded to one Ni(5), two equivalent Ni(1), and two equivalent Ni(4) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra, corners with four equivalent O(10)LiNi3 tetrahedra, corners with two equivalent O(8)LiNi3 trigonal pyramids, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, edges with two equivalent O(12)Ni5 square pyramids, and  an edgeedge with one O(10)LiNi3 tetrahedra. The corner-sharing octahedral tilt angles are 10°. 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 ONi6 octahedra that share corners with two equivalent O(11)Ni5 square pyramids, corners with two equivalent O(12)Ni5 square pyramids,  a cornercorner with one O(8)LiNi3 trigonal pyramid, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(11)Ni5 square pyramids, edges with three equivalent O(12)Ni5 square pyramids, and edges with two equivalent O(10)LiNi3 tetrahedra. is represented by the CIF file [CIF]
data_LiNi9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.889
_cell_length_b   5.187
_cell_length_c   16.172
_cell_angle_alpha   98.833
_cell_angle_beta   90.043
_cell_angle_gamma   106.162
_symmetry_Int_Tables_number   1
_cell_volume   229.738
_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  0.433  0.865  0.315  1.0
  Ni  Ni1  1  0.494  0.992  0.516  1.0
  Ni  Ni2  1  0.645  0.286  0.042  1.0
  Ni  Ni3  1  0.347  0.690  0.952  1.0
  Ni  Ni4  1  0.738  0.480  0.435  1.0
  Ni  Ni5  1  0.249  0.501  0.607  1.0
  Ni  Ni6  1  0.923  0.842  0.117  1.0
  Ni  Ni7  1  0.060  0.117  0.878  1.0
  Ni  Ni8  1  0.114  0.231  0.240  1.0
  Ni  Ni9  1  0.004  0.009  0.678  1.0
  O  O10  1  0.996  0.987  0.994  1.0
  O  O11  1  0.914  0.827  0.236  1.0
  O  O12  1  0.122  0.244  0.777  1.0
  O  O13  1  0.293  0.582  0.065  1.0
  O  O14  1  0.692  0.385  0.925  1.0
  O  O15  1  0.585  0.169  0.154  1.0
  O  O16  1  0.435  0.863  0.852  1.0
  O  O17  1  0.639  0.282  0.318  1.0
  O  O18  1  0.396  0.792  0.707  1.0
  O  O19  1  0.357  0.718  0.416  1.0
  O  O20  1  0.611  0.224  0.628  1.0
  O  O21  1  0.133  0.270  0.484  1.0
  O  O22  1  0.883  0.768  0.568  1.0
[/CIF]
.