The structure described by LiNiOF2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1), one F(2), and two equivalent F(1) atoms to form distorted LiO2F3 tetrahedra that share corners with three equivalent Ni(1)O2F4 octahedra, corners with three equivalent Ni(2)O2F4 octahedra, corners with two equivalent Li(1)O2F3 tetrahedra,  an edgeedge with one Ni(1)O2F4 octahedra,  an edgeedge with one Ni(2)O2F4 octahedra, and  an edgeedge with one Li(1)O2F3 tetrahedra. The corner-sharing octahedral tilt angles range from 61-79°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form NiO2F4 octahedra that share corners with six equivalent Ni(2)O2F4 octahedra, corners with six equivalent Li(1)O2F3 tetrahedra, and edges with two equivalent Li(1)O2F3 tetrahedra. The corner-sharing octahedral tilt angles range from 36-64°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form NiO2F4 octahedra that share corners with six equivalent Ni(1)O2F4 octahedra, corners with six equivalent Li(1)O2F3 tetrahedra, and edges with two equivalent Li(1)O2F3 tetrahedra. The corner-sharing octahedral tilt angles range from 36-64°. O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Ni(1), one Ni(2), and one O(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1), one Ni(1), and one Ni(2) atom to form distorted corner-sharing FLi2Ni2 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   4.960
_cell_length_c   9.358
_cell_angle_alpha   59.906
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.161
_cell_formula_units_Z   4
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  0.968  0.277  0.756  1.0
  Li  Li1  1  0.468  0.723  0.744  1.0
  Li  Li2  1  0.532  0.277  0.256  1.0
  Li  Li3  1  0.032  0.723  0.244  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.898  0.062  0.037  1.0
  O  O9  1  0.398  0.938  0.463  1.0
  O  O10  1  0.602  0.062  0.537  1.0
  O  O11  1  0.102  0.938  0.963  1.0
  F  F12  1  0.415  0.645  0.255  1.0
  F  F13  1  0.857  0.729  0.417  1.0
  F  F14  1  0.357  0.271  0.083  1.0
  F  F15  1  0.915  0.355  0.245  1.0
  F  F16  1  0.085  0.645  0.755  1.0
  F  F17  1  0.643  0.729  0.917  1.0
  F  F18  1  0.143  0.271  0.583  1.0
  F  F19  1  0.585  0.355  0.745  1.0
[/CIF]
.
The structure described by LiNiOF2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1), one F(2), and two equivalent F(1) atoms to form distorted LiO2F3 tetrahedra that share corners with three equivalent Ni(1)O2F4 octahedra, corners with three equivalent Ni(2)O2F4 octahedra, corners with two equivalent Li(1)O2F3 tetrahedra,  an edgeedge with one Ni(1)O2F4 octahedra,  an edgeedge with one Ni(2)O2F4 octahedra, and  an edgeedge with one Li(1)O2F3 tetrahedra. The corner-sharing octahedral tilt angles range from 61-79°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form NiO2F4 octahedra that share corners with six equivalent Ni(2)O2F4 octahedra, corners with six equivalent Li(1)O2F3 tetrahedra, and edges with two equivalent Li(1)O2F3 tetrahedra. The corner-sharing octahedral tilt angles range from 36-64°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form NiO2F4 octahedra that share corners with six equivalent Ni(1)O2F4 octahedra, corners with six equivalent Li(1)O2F3 tetrahedra, and edges with two equivalent Li(1)O2F3 tetrahedra. The corner-sharing octahedral tilt angles range from 36-64°. O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Ni(1), one Ni(2), and one O(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1), one Ni(1), and one Ni(2) atom to form distorted corner-sharing FLi2Ni2 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   4.960
_cell_length_c   9.358
_cell_angle_alpha   59.906
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.161
_cell_formula_units_Z   4
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  0.968  0.277  0.756  1.0
  Li  Li1  1  0.468  0.723  0.744  1.0
  Li  Li2  1  0.532  0.277  0.256  1.0
  Li  Li3  1  0.032  0.723  0.244  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.898  0.062  0.037  1.0
  O  O9  1  0.398  0.938  0.463  1.0
  O  O10  1  0.602  0.062  0.537  1.0
  O  O11  1  0.102  0.938  0.963  1.0
  F  F12  1  0.415  0.645  0.255  1.0
  F  F13  1  0.857  0.729  0.417  1.0
  F  F14  1  0.357  0.271  0.083  1.0
  F  F15  1  0.915  0.355  0.245  1.0
  F  F16  1  0.085  0.645  0.755  1.0
  F  F17  1  0.643  0.729  0.917  1.0
  F  F18  1  0.143  0.271  0.583  1.0
  F  F19  1  0.585  0.355  0.745  1.0
[/CIF]
.