The material described by Li5Ni5O9F is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(2)O5F octahedra,  a cornercorner with one Ni(5)O5F octahedra, corners with two equivalent Ni(3)O5F octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one Ni(3)O5F octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(5)O5F octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Li(5)O5F octahedra, and edges with two equivalent Ni(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(2)O5F octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(5)O5F octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(5)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(9), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one Ni(3)O5F octahedra,  a cornercorner with one Ni(5)O5F octahedra, corners with two equivalent Ni(2)O5F octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O5F octahedra, corners with two equivalent Ni(3)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O5F octahedra,  a cornercorner with one Li(5)O5F octahedra, corners with two equivalent Li(4)O5F octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(3)O5F octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form NiO5F octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O5F octahedra, corners with two equivalent Li(5)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Ni(5)O5F octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Ni site, Ni(3) is bonded to one O(3), one O(4), one O(6), one O(8), one O(9), and one F(1) atom to form NiO5F octahedra that share  a cornercorner with one Li(2)O5F octahedra,  a cornercorner with one Li(4)O5F octahedra, corners with two equivalent Li(5)O5F octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(5)O5F octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(5)O5F octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O5F octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Ni(2)O5F octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(3), one O(4), one O(7), one O(9), and one F(1) atom to form NiO5F octahedra that share  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O5F octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(5)O5F octahedra, edges with two equivalent Ni(2)O5F octahedra, and edges with two equivalent Ni(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra, corners with two equivalent O(7)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent F(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra, corners with two equivalent F(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Ni(2), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(8)Li3Ni3 octahedra, corners with two equivalent F(1)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(5), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(7)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent F(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(7)Li3Ni3 octahedra, corners with two equivalent O(2)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one F(1)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra, corners with two equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(5), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with two equivalent F(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3Ni3 octahedra,  a cornercorner with one O(7)Li3Ni3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one F(1)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. F(1) is bonded to one Li(2), one Li(4), one Li(5), one Ni(2), one Ni(3), and one Ni(5) atom to form FLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(2)Li3Ni3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, and edges with two equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the CIF file [CIF]
data_Li5Ni5O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.983
_cell_length_b   5.789
_cell_length_c   6.565
_cell_angle_alpha   102.982
_cell_angle_beta   98.292
_cell_angle_gamma   106.487
_symmetry_Int_Tables_number   1
_cell_volume   172.505
_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  0.795  0.101  0.598  1.0
  Li  Li1  1  0.617  0.702  0.205  1.0
  Li  Li2  1  0.398  0.302  0.801  1.0
  Li  Li3  1  0.195  0.902  0.403  1.0
  Li  Li4  1  0.994  0.490  0.999  1.0
  Ni  Ni5  1  0.802  0.602  0.599  1.0
  Ni  Ni6  1  0.606  0.209  0.200  1.0
  Ni  Ni7  1  0.402  0.803  0.792  1.0
  Ni  Ni8  1  0.204  0.401  0.396  1.0
  Ni  Ni9  1  0.990  0.002  0.001  1.0
  O  O10  1  0.911  0.057  0.283  1.0
  O  O11  1  0.924  0.543  0.312  1.0
  O  O12  1  0.672  0.129  0.896  1.0
  O  O13  1  0.701  0.678  0.898  1.0
  O  O14  1  0.493  0.272  0.492  1.0
  O  O15  1  0.518  0.734  0.503  1.0
  O  O16  1  0.276  0.321  0.098  1.0
  O  O17  1  0.102  0.478  0.692  1.0
  O  O18  1  0.099  0.937  0.724  1.0
  F  F19  1  0.300  0.835  0.108  1.0
[/CIF]
.
The material described by Li5Ni5O9F is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(2)O5F octahedra,  a cornercorner with one Ni(5)O5F octahedra, corners with two equivalent Ni(3)O5F octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one Ni(3)O5F octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(5)O5F octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Li(5)O5F octahedra, and edges with two equivalent Ni(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(2)O5F octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(5)O5F octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(5)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(9), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one Ni(3)O5F octahedra,  a cornercorner with one Ni(5)O5F octahedra, corners with two equivalent Ni(2)O5F octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O5F octahedra, corners with two equivalent Ni(3)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O5F octahedra,  a cornercorner with one Li(5)O5F octahedra, corners with two equivalent Li(4)O5F octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(3)O5F octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form NiO5F octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O5F octahedra, corners with two equivalent Li(5)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Ni(5)O5F octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Ni site, Ni(3) is bonded to one O(3), one O(4), one O(6), one O(8), one O(9), and one F(1) atom to form NiO5F octahedra that share  a cornercorner with one Li(2)O5F octahedra,  a cornercorner with one Li(4)O5F octahedra, corners with two equivalent Li(5)O5F octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(2)O5F octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(5)O5F octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(5)O5F octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O5F octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(5)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(3)O5F octahedra,  an edgeedge with one Ni(5)O5F octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Ni(2)O5F octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(3), one O(4), one O(7), one O(9), and one F(1) atom to form NiO5F octahedra that share  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O5F octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(5)O5F octahedra, edges with two equivalent Ni(2)O5F octahedra, and edges with two equivalent Ni(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra, corners with two equivalent O(7)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent F(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra, corners with two equivalent F(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Ni(2), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(8)Li3Ni3 octahedra, corners with two equivalent F(1)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(5), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(7)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent F(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(7)Li3Ni3 octahedra, corners with two equivalent O(2)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one F(1)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra, corners with two equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(5), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with two equivalent F(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3Ni3 octahedra,  a cornercorner with one O(7)Li3Ni3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one F(1)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. F(1) is bonded to one Li(2), one Li(4), one Li(5), one Ni(2), one Ni(3), and one Ni(5) atom to form FLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(2)Li3Ni3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, and edges with two equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the CIF file [CIF]
data_Li5Ni5O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.983
_cell_length_b   5.789
_cell_length_c   6.565
_cell_angle_alpha   102.982
_cell_angle_beta   98.292
_cell_angle_gamma   106.487
_symmetry_Int_Tables_number   1
_cell_volume   172.505
_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  0.795  0.101  0.598  1.0
  Li  Li1  1  0.617  0.702  0.205  1.0
  Li  Li2  1  0.398  0.302  0.801  1.0
  Li  Li3  1  0.195  0.902  0.403  1.0
  Li  Li4  1  0.994  0.490  0.999  1.0
  Ni  Ni5  1  0.802  0.602  0.599  1.0
  Ni  Ni6  1  0.606  0.209  0.200  1.0
  Ni  Ni7  1  0.402  0.803  0.792  1.0
  Ni  Ni8  1  0.204  0.401  0.396  1.0
  Ni  Ni9  1  0.990  0.002  0.001  1.0
  O  O10  1  0.911  0.057  0.283  1.0
  O  O11  1  0.924  0.543  0.312  1.0
  O  O12  1  0.672  0.129  0.896  1.0
  O  O13  1  0.701  0.678  0.898  1.0
  O  O14  1  0.493  0.272  0.492  1.0
  O  O15  1  0.518  0.734  0.503  1.0
  O  O16  1  0.276  0.321  0.098  1.0
  O  O17  1  0.102  0.478  0.692  1.0
  O  O18  1  0.099  0.937  0.724  1.0
  F  F19  1  0.300  0.835  0.108  1.0
[/CIF]
.