The structure described by Li3Ni5OF11 is Corundum-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(11), one F(3), one F(5), one F(7), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Ni(2)OF5 octahedra, corners with two equivalent Ni(3)F6 octahedra, corners with three equivalent Ni(4)F6 octahedra, corners with three equivalent Ni(5)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  a faceface with one Ni(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the second Li site, Li(2) is bonded to one O(1), one F(1), one F(11), one F(4), one F(6), and one F(8) atom to form distorted LiOF5 octahedra that share  a cornercorner with one Ni(4)F6 octahedra, corners with two equivalent Ni(5)OF5 octahedra, corners with three equivalent Ni(3)F6 octahedra, corners with three equivalent Ni(2)OF5 octahedra,  an edgeedge with one Li(1)F6 octahedra, edges with two equivalent Ni(1)OF5 octahedra, and  a faceface with one Ni(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one F(10), one F(2), one F(3), one F(5), one F(7), and one F(9) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one F(10), one F(2), one F(4), one F(6), and one F(8) atom to form distorted NiOF5 octahedra that share  a cornercorner with one Ni(3)F6 octahedra, corners with two equivalent Ni(2)OF5 octahedra, corners with three equivalent Ni(4)F6 octahedra, corners with three equivalent Ni(5)OF5 octahedra, edges with two equivalent Li(2)OF5 octahedra, and  a faceface with one Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the second Ni site, Ni(2) is bonded to one O(1), one F(10), one F(2), one F(3), one F(4), and one F(6) atom to form NiOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Ni(1)OF5 octahedra, corners with three equivalent Li(2)OF5 octahedra,  an edgeedge with one Ni(5)OF5 octahedra, edges with two equivalent Ni(4)F6 octahedra, and  a faceface with one Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Ni site, Ni(3) is bonded to one F(1), one F(11), one F(5), one F(7), one F(8), and one F(9) atom to form NiF6 octahedra that share  a cornercorner with one Ni(1)OF5 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with three equivalent Li(2)OF5 octahedra,  an edgeedge with one Ni(4)F6 octahedra, edges with two equivalent Ni(5)OF5 octahedra, and  a faceface with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the fourth Ni site, Ni(4) is bonded to one F(10), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form NiF6 octahedra that share  a cornercorner with one Li(2)OF5 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Ni(1)OF5 octahedra,  an edgeedge with one Ni(3)F6 octahedra, and edges with two equivalent Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the fifth Ni site, Ni(5) is bonded to one O(1), one F(1), one F(11), one F(6), one F(8), and one F(9) atom to form NiOF5 octahedra that share corners with two equivalent Li(2)OF5 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Ni(1)OF5 octahedra,  an edgeedge with one Ni(2)OF5 octahedra, edges with two equivalent Ni(3)F6 octahedra, and  a faceface with one Li(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(3), and one Ni(5) atom. In the second F site, F(2) is bonded to one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form distorted FLiNi3 trigonal pyramids that share  a cornercorner with one F(3)Li2Ni2 trigonal pyramid,  a cornercorner with one F(9)Li2Ni2 trigonal pyramid,  a cornercorner with one F(8)LiNi3 trigonal pyramid, corners with two equivalent F(5)Li2Ni2 trigonal pyramids, corners with two equivalent F(6)LiNi3 trigonal pyramids,  an edgeedge with one F(3)Li2Ni2 trigonal pyramid,  an edgeedge with one F(7)Li2Ni2 trigonal pyramid, and edges with two equivalent F(10)LiNi3 trigonal pyramids. In the third F site, F(3) is bonded to one Li(1), one Li(3), one Ni(2), and one Ni(4) atom to form distorted FLi2Ni2 trigonal pyramids that share  a cornercorner with one F(7)Li2Ni2 trigonal pyramid,  a cornercorner with one F(2)LiNi3 trigonal pyramid,  a cornercorner with one F(6)LiNi3 trigonal pyramid, corners with three equivalent F(5)Li2Ni2 trigonal pyramids, corners with three equivalent F(10)LiNi3 trigonal pyramids,  an edgeedge with one F(7)Li2Ni2 trigonal pyramid,  an edgeedge with one F(9)Li2Ni2 trigonal pyramid, and  an edgeedge with one F(2)LiNi3 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Ni(3), and one Ni(4) atom to form distorted FLi2Ni2 trigonal pyramids that share  a cornercorner with one F(9)Li2Ni2 trigonal pyramid,  a cornercorner with one F(8)LiNi3 trigonal pyramid, corners with two equivalent F(10)LiNi3 trigonal pyramids, corners with two equivalent F(2)LiNi3 trigonal pyramids, corners with three equivalent F(3)Li2Ni2 trigonal pyramids,  an edgeedge with one F(9)Li2Ni2 trigonal pyramid, and edges with two equivalent F(7)Li2Ni2 trigonal pyramids. In the sixth F site, F(6) is bonded to one Li(2), one Ni(1), one Ni(2), and one Ni(5) atom to form distorted FLiNi3 trigonal pyramids that share  a cornercorner with one F(3)Li2Ni2 trigonal pyramid,  a cornercorner with one F(9)Li2Ni2 trigonal pyramid, corners with two equivalent F(2)LiNi3 trigonal pyramids, corners with three equivalent F(8)LiNi3 trigonal pyramids, and  an edgeedge with one F(10)LiNi3 trigonal pyramid. In the seventh F site, F(7) is bonded to one Li(1), one Li(3), one Ni(3), and one Ni(4) atom to form distorted FLi2Ni2 trigonal pyramids that share  a cornercorner with one F(3)Li2Ni2 trigonal pyramid,  a cornercorner with one F(8)LiNi3 trigonal pyramid, corners with two equivalent F(10)LiNi3 trigonal pyramids, corners with three equivalent F(9)Li2Ni2 trigonal pyramids,  an edgeedge with one F(3)Li2Ni2 trigonal pyramid,  an edgeedge with one F(2)LiNi3 trigonal pyramid, and edges with two equivalent F(5)Li2Ni2 trigonal pyramids. In the eighth F site, F(8) is bonded to one Li(2), one Ni(1), one Ni(3), and one Ni(5) atom to form distorted FLiNi3 trigonal pyramids that share  a cornercorner with one F(5)Li2Ni2 trigonal pyramid,  a cornercorner with one F(7)Li2Ni2 trigonal pyramid,  a cornercorner with one F(10)LiNi3 trigonal pyramid,  a cornercorner with one F(2)LiNi3 trigonal pyramid, corners with three equivalent F(6)LiNi3 trigonal pyramids, and  an edgeedge with one F(9)Li2Ni2 trigonal pyramid. In the ninth F site, F(9) is bonded to one Li(1), one Li(3), one Ni(3), and one Ni(5) atom to form distorted FLi2Ni2 trigonal pyramids that share  a cornercorner with one F(5)Li2Ni2 trigonal pyramid,  a cornercorner with one F(10)LiNi3 trigonal pyramid,  a cornercorner with one F(2)LiNi3 trigonal pyramid,  a cornercorner with one F(6)LiNi3 trigonal pyramid, corners with three equivalent F(7)Li2Ni2 trigonal pyramids,  an edgeedge with one F(3)Li2Ni2 trigonal pyramid,  an edgeedge with one F(5)Li2Ni2 trigonal pyramid, and  an edgeedge with one F(8)LiNi3 trigonal pyramid. In the tenth F site, F(10) is bonded to one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form distorted FLiNi3 trigonal pyramids that share  a cornercorner with one F(9)Li2Ni2 trigonal pyramid,  a cornercorner with one F(8)LiNi3 trigonal pyramid, corners with two equivalent F(5)Li2Ni2 trigonal pyramids, corners with two equivalent F(7)Li2Ni2 trigonal pyramids, corners with three equivalent F(3)Li2Ni2 trigonal pyramids,  an edgeedge with one F(6)LiNi3 trigonal pyramid, and edges with two equivalent F(2)LiNi3 trigonal pyramids. In the eleventh F site, F(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ni(3), and one Ni(5) atom. is represented by the CIF card [CIF]
data_Li3Ni5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   5.546
_cell_length_c   9.099
_cell_angle_alpha   85.103
_cell_angle_beta   74.337
_cell_angle_gamma   118.243
_symmetry_Int_Tables_number   1
_cell_volume   212.444
_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  0.144  0.854  0.574  1.0
  Li  Li1  1  0.851  0.629  0.928  1.0
  Li  Li2  1  0.844  0.136  0.440  1.0
  Ni  Ni3  1  0.125  0.366  0.071  1.0
  Ni  Ni4  1  0.371  0.887  0.168  1.0
  Ni  Ni5  1  0.344  0.356  0.670  1.0
  Ni  Ni6  1  0.653  0.636  0.328  1.0
  Ni  Ni7  1  0.670  0.143  0.834  1.0
  O  O8  1  0.742  0.224  0.028  1.0
  F  F9  1  0.071  0.526  0.713  1.0
  F  F10  1  0.057  0.024  0.219  1.0
  F  F11  1  0.446  0.871  0.374  1.0
  F  F12  1  0.547  0.619  0.129  1.0
  F  F13  1  0.259  0.282  0.467  1.0
  F  F14  1  0.251  0.781  0.970  1.0
  F  F15  1  0.745  0.713  0.528  1.0
  F  F16  1  0.435  0.378  0.871  1.0
  F  F17  1  0.560  0.129  0.633  1.0
  F  F18  1  0.941  0.476  0.280  1.0
  F  F19  1  0.944  0.970  0.776  1.0
[/CIF]
.
The structure described by Li3Ni5OF11 is Corundum-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(11), one F(3), one F(5), one F(7), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Ni(2)OF5 octahedra, corners with two equivalent Ni(3)F6 octahedra, corners with three equivalent Ni(4)F6 octahedra, corners with three equivalent Ni(5)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  a faceface with one Ni(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the second Li site, Li(2) is bonded to one O(1), one F(1), one F(11), one F(4), one F(6), and one F(8) atom to form distorted LiOF5 octahedra that share  a cornercorner with one Ni(4)F6 octahedra, corners with two equivalent Ni(5)OF5 octahedra, corners with three equivalent Ni(3)F6 octahedra, corners with three equivalent Ni(2)OF5 octahedra,  an edgeedge with one Li(1)F6 octahedra, edges with two equivalent Ni(1)OF5 octahedra, and  a faceface with one Ni(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one F(10), one F(2), one F(3), one F(5), one F(7), and one F(9) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one F(10), one F(2), one F(4), one F(6), and one F(8) atom to form distorted NiOF5 octahedra that share  a cornercorner with one Ni(3)F6 octahedra, corners with two equivalent Ni(2)OF5 octahedra, corners with three equivalent Ni(4)F6 octahedra, corners with three equivalent Ni(5)OF5 octahedra, edges with two equivalent Li(2)OF5 octahedra, and  a faceface with one Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the second Ni site, Ni(2) is bonded to one O(1), one F(10), one F(2), one F(3), one F(4), and one F(6) atom to form NiOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Ni(1)OF5 octahedra, corners with three equivalent Li(2)OF5 octahedra,  an edgeedge with one Ni(5)OF5 octahedra, edges with two equivalent Ni(4)F6 octahedra, and  a faceface with one Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Ni site, Ni(3) is bonded to one F(1), one F(11), one F(5), one F(7), one F(8), and one F(9) atom to form NiF6 octahedra that share  a cornercorner with one Ni(1)OF5 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with three equivalent Li(2)OF5 octahedra,  an edgeedge with one Ni(4)F6 octahedra, edges with two equivalent Ni(5)OF5 octahedra, and  a faceface with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the fourth Ni site, Ni(4) is bonded to one F(10), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form NiF6 octahedra that share  a cornercorner with one Li(2)OF5 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Ni(1)OF5 octahedra,  an edgeedge with one Ni(3)F6 octahedra, and edges with two equivalent Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the fifth Ni site, Ni(5) is bonded to one O(1), one F(1), one F(11), one F(6), one F(8), and one F(9) atom to form NiOF5 octahedra that share corners with two equivalent Li(2)OF5 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Ni(1)OF5 octahedra,  an edgeedge with one Ni(2)OF5 octahedra, edges with two equivalent Ni(3)F6 octahedra, and  a faceface with one Li(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(3), and one Ni(5) atom. In the second F site, F(2) is bonded to one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form distorted FLiNi3 trigonal pyramids that share  a cornercorner with one F(3)Li2Ni2 trigonal pyramid,  a cornercorner with one F(9)Li2Ni2 trigonal pyramid,  a cornercorner with one F(8)LiNi3 trigonal pyramid, corners with two equivalent F(5)Li2Ni2 trigonal pyramids, corners with two equivalent F(6)LiNi3 trigonal pyramids,  an edgeedge with one F(3)Li2Ni2 trigonal pyramid,  an edgeedge with one F(7)Li2Ni2 trigonal pyramid, and edges with two equivalent F(10)LiNi3 trigonal pyramids. In the third F site, F(3) is bonded to one Li(1), one Li(3), one Ni(2), and one Ni(4) atom to form distorted FLi2Ni2 trigonal pyramids that share  a cornercorner with one F(7)Li2Ni2 trigonal pyramid,  a cornercorner with one F(2)LiNi3 trigonal pyramid,  a cornercorner with one F(6)LiNi3 trigonal pyramid, corners with three equivalent F(5)Li2Ni2 trigonal pyramids, corners with three equivalent F(10)LiNi3 trigonal pyramids,  an edgeedge with one F(7)Li2Ni2 trigonal pyramid,  an edgeedge with one F(9)Li2Ni2 trigonal pyramid, and  an edgeedge with one F(2)LiNi3 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Ni(3), and one Ni(4) atom to form distorted FLi2Ni2 trigonal pyramids that share  a cornercorner with one F(9)Li2Ni2 trigonal pyramid,  a cornercorner with one F(8)LiNi3 trigonal pyramid, corners with two equivalent F(10)LiNi3 trigonal pyramids, corners with two equivalent F(2)LiNi3 trigonal pyramids, corners with three equivalent F(3)Li2Ni2 trigonal pyramids,  an edgeedge with one F(9)Li2Ni2 trigonal pyramid, and edges with two equivalent F(7)Li2Ni2 trigonal pyramids. In the sixth F site, F(6) is bonded to one Li(2), one Ni(1), one Ni(2), and one Ni(5) atom to form distorted FLiNi3 trigonal pyramids that share  a cornercorner with one F(3)Li2Ni2 trigonal pyramid,  a cornercorner with one F(9)Li2Ni2 trigonal pyramid, corners with two equivalent F(2)LiNi3 trigonal pyramids, corners with three equivalent F(8)LiNi3 trigonal pyramids, and  an edgeedge with one F(10)LiNi3 trigonal pyramid. In the seventh F site, F(7) is bonded to one Li(1), one Li(3), one Ni(3), and one Ni(4) atom to form distorted FLi2Ni2 trigonal pyramids that share  a cornercorner with one F(3)Li2Ni2 trigonal pyramid,  a cornercorner with one F(8)LiNi3 trigonal pyramid, corners with two equivalent F(10)LiNi3 trigonal pyramids, corners with three equivalent F(9)Li2Ni2 trigonal pyramids,  an edgeedge with one F(3)Li2Ni2 trigonal pyramid,  an edgeedge with one F(2)LiNi3 trigonal pyramid, and edges with two equivalent F(5)Li2Ni2 trigonal pyramids. In the eighth F site, F(8) is bonded to one Li(2), one Ni(1), one Ni(3), and one Ni(5) atom to form distorted FLiNi3 trigonal pyramids that share  a cornercorner with one F(5)Li2Ni2 trigonal pyramid,  a cornercorner with one F(7)Li2Ni2 trigonal pyramid,  a cornercorner with one F(10)LiNi3 trigonal pyramid,  a cornercorner with one F(2)LiNi3 trigonal pyramid, corners with three equivalent F(6)LiNi3 trigonal pyramids, and  an edgeedge with one F(9)Li2Ni2 trigonal pyramid. In the ninth F site, F(9) is bonded to one Li(1), one Li(3), one Ni(3), and one Ni(5) atom to form distorted FLi2Ni2 trigonal pyramids that share  a cornercorner with one F(5)Li2Ni2 trigonal pyramid,  a cornercorner with one F(10)LiNi3 trigonal pyramid,  a cornercorner with one F(2)LiNi3 trigonal pyramid,  a cornercorner with one F(6)LiNi3 trigonal pyramid, corners with three equivalent F(7)Li2Ni2 trigonal pyramids,  an edgeedge with one F(3)Li2Ni2 trigonal pyramid,  an edgeedge with one F(5)Li2Ni2 trigonal pyramid, and  an edgeedge with one F(8)LiNi3 trigonal pyramid. In the tenth F site, F(10) is bonded to one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form distorted FLiNi3 trigonal pyramids that share  a cornercorner with one F(9)Li2Ni2 trigonal pyramid,  a cornercorner with one F(8)LiNi3 trigonal pyramid, corners with two equivalent F(5)Li2Ni2 trigonal pyramids, corners with two equivalent F(7)Li2Ni2 trigonal pyramids, corners with three equivalent F(3)Li2Ni2 trigonal pyramids,  an edgeedge with one F(6)LiNi3 trigonal pyramid, and edges with two equivalent F(2)LiNi3 trigonal pyramids. In the eleventh F site, F(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ni(3), and one Ni(5) atom. is represented by the CIF card [CIF]
data_Li3Ni5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   5.546
_cell_length_c   9.099
_cell_angle_alpha   85.103
_cell_angle_beta   74.337
_cell_angle_gamma   118.243
_symmetry_Int_Tables_number   1
_cell_volume   212.444
_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  0.144  0.854  0.574  1.0
  Li  Li1  1  0.851  0.629  0.928  1.0
  Li  Li2  1  0.844  0.136  0.440  1.0
  Ni  Ni3  1  0.125  0.366  0.071  1.0
  Ni  Ni4  1  0.371  0.887  0.168  1.0
  Ni  Ni5  1  0.344  0.356  0.670  1.0
  Ni  Ni6  1  0.653  0.636  0.328  1.0
  Ni  Ni7  1  0.670  0.143  0.834  1.0
  O  O8  1  0.742  0.224  0.028  1.0
  F  F9  1  0.071  0.526  0.713  1.0
  F  F10  1  0.057  0.024  0.219  1.0
  F  F11  1  0.446  0.871  0.374  1.0
  F  F12  1  0.547  0.619  0.129  1.0
  F  F13  1  0.259  0.282  0.467  1.0
  F  F14  1  0.251  0.781  0.970  1.0
  F  F15  1  0.745  0.713  0.528  1.0
  F  F16  1  0.435  0.378  0.871  1.0
  F  F17  1  0.560  0.129  0.633  1.0
  F  F18  1  0.941  0.476  0.280  1.0
  F  F19  1  0.944  0.970  0.776  1.0
[/CIF]
.