The structure described by Li4Ni3(OF3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), one F(2), one F(3), and two equivalent F(1) atoms to form LiO2F4 octahedra that share  a cornercorner with one Ni(1)O2F4 octahedra, corners with three equivalent Ni(2)O2F4 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Ni(1)O2F4 octahedra, edges with three equivalent Ni(2)O2F4 octahedra, and edges with four equivalent Li(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Li site, Li(2) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with two equivalent Ni(1)O2F4 octahedra, corners with three equivalent Ni(2)O2F4 octahedra,  an edgeedge with one Ni(1)O2F4 octahedra, edges with two equivalent Li(2)OF5 octahedra, edges with three equivalent Ni(2)O2F4 octahedra, and edges with four equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. 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 two equivalent Li(1)O2F4 octahedra, corners with four equivalent Li(2)OF5 octahedra, edges with two equivalent Li(2)OF5 octahedra, edges with four equivalent Li(1)O2F4 octahedra, and edges with four equivalent Ni(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(3) atoms to form NiO2F4 octahedra that share corners with three equivalent Li(1)O2F4 octahedra, corners with three equivalent Li(2)OF5 octahedra, edges with two equivalent Ni(1)O2F4 octahedra, edges with two equivalent Ni(2)O2F4 octahedra, edges with three equivalent Li(1)O2F4 octahedra, and edges with three equivalent Li(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. O(1) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one F(1)Li3Ni2 square pyramid, corners with two equivalent F(2)Li3Ni2 square pyramids, corners with two equivalent F(3)Li3Ni2 square pyramids, edges with two equivalent O(1)Li3Ni3 octahedra, edges with three equivalent F(2)Li3Ni2 square pyramids, edges with three equivalent F(3)Li3Ni2 square pyramids, and edges with four equivalent F(1)Li3Ni2 square pyramids. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and one Ni(2) atom to form FLi3Ni2 square pyramids that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one F(1)Li3Ni2 square pyramid, corners with three equivalent F(2)Li3Ni2 square pyramids, corners with four equivalent F(3)Li3Ni2 square pyramids, edges with four equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni2 square pyramid,  an edgeedge with one F(3)Li3Ni2 square pyramid, and edges with two equivalent F(2)Li3Ni2 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), one Ni(1), and one Ni(2) atom to form FLi3Ni2 square pyramids that share corners with two equivalent O(1)Li3Ni3 octahedra,  a cornercorner with one F(2)Li3Ni2 square pyramid, corners with three equivalent F(1)Li3Ni2 square pyramids, corners with three equivalent F(3)Li3Ni2 square pyramids, edges with three equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one F(2)Li3Ni2 square pyramid, edges with two equivalent F(1)Li3Ni2 square pyramids, and edges with two equivalent F(3)Li3Ni2 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the third F site, F(3) is bonded to one Li(1), two equivalent Li(2), and two equivalent Ni(2) atoms to form FLi3Ni2 square pyramids that share corners with two equivalent O(1)Li3Ni3 octahedra, corners with three equivalent F(2)Li3Ni2 square pyramids, corners with four equivalent F(1)Li3Ni2 square pyramids, edges with three equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni2 square pyramid, edges with two equivalent F(2)Li3Ni2 square pyramids, and edges with two equivalent F(3)Li3Ni2 square pyramids. The corner-sharing octahedral tilt angles range from 7-8°. is represented by the CIF card [CIF]
data_Li4Ni3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.157
_cell_length_c   5.897
_cell_angle_alpha   89.576
_cell_angle_beta   72.938
_cell_angle_gamma   79.974
_symmetry_Int_Tables_number   1
_cell_volume   146.796
_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
  F  F0  1  0.240  0.119  0.699  1.0
  F  F1  1  0.760  0.381  0.051  1.0
  F  F2  1  0.775  0.385  0.567  1.0
  F  F3  1  0.225  0.115  0.183  1.0
  F  F4  1  0.751  0.845  0.311  1.0
  F  F5  1  0.249  0.655  0.439  1.0
  Li  Li6  1  0.985  0.980  0.997  1.0
  Li  Li7  1  0.015  0.520  0.753  1.0
  Li  Li8  1  0.987  0.012  0.511  1.0
  Li  Li9  1  0.013  0.488  0.239  1.0
  Ni  Ni10  1  0.500  0.250  0.875  1.0
  Ni  Ni11  1  0.502  0.751  0.636  1.0
  Ni  Ni12  1  0.498  0.749  0.114  1.0
  O  O13  1  0.730  0.890  0.817  1.0
  O  O14  1  0.270  0.610  0.933  1.0
[/CIF]
.
The structure described by Li4Ni3(OF3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), one F(2), one F(3), and two equivalent F(1) atoms to form LiO2F4 octahedra that share  a cornercorner with one Ni(1)O2F4 octahedra, corners with three equivalent Ni(2)O2F4 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Ni(1)O2F4 octahedra, edges with three equivalent Ni(2)O2F4 octahedra, and edges with four equivalent Li(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Li site, Li(2) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with two equivalent Ni(1)O2F4 octahedra, corners with three equivalent Ni(2)O2F4 octahedra,  an edgeedge with one Ni(1)O2F4 octahedra, edges with two equivalent Li(2)OF5 octahedra, edges with three equivalent Ni(2)O2F4 octahedra, and edges with four equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. 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 two equivalent Li(1)O2F4 octahedra, corners with four equivalent Li(2)OF5 octahedra, edges with two equivalent Li(2)OF5 octahedra, edges with four equivalent Li(1)O2F4 octahedra, and edges with four equivalent Ni(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(3) atoms to form NiO2F4 octahedra that share corners with three equivalent Li(1)O2F4 octahedra, corners with three equivalent Li(2)OF5 octahedra, edges with two equivalent Ni(1)O2F4 octahedra, edges with two equivalent Ni(2)O2F4 octahedra, edges with three equivalent Li(1)O2F4 octahedra, and edges with three equivalent Li(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. O(1) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one F(1)Li3Ni2 square pyramid, corners with two equivalent F(2)Li3Ni2 square pyramids, corners with two equivalent F(3)Li3Ni2 square pyramids, edges with two equivalent O(1)Li3Ni3 octahedra, edges with three equivalent F(2)Li3Ni2 square pyramids, edges with three equivalent F(3)Li3Ni2 square pyramids, and edges with four equivalent F(1)Li3Ni2 square pyramids. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and one Ni(2) atom to form FLi3Ni2 square pyramids that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one F(1)Li3Ni2 square pyramid, corners with three equivalent F(2)Li3Ni2 square pyramids, corners with four equivalent F(3)Li3Ni2 square pyramids, edges with four equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni2 square pyramid,  an edgeedge with one F(3)Li3Ni2 square pyramid, and edges with two equivalent F(2)Li3Ni2 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), one Ni(1), and one Ni(2) atom to form FLi3Ni2 square pyramids that share corners with two equivalent O(1)Li3Ni3 octahedra,  a cornercorner with one F(2)Li3Ni2 square pyramid, corners with three equivalent F(1)Li3Ni2 square pyramids, corners with three equivalent F(3)Li3Ni2 square pyramids, edges with three equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one F(2)Li3Ni2 square pyramid, edges with two equivalent F(1)Li3Ni2 square pyramids, and edges with two equivalent F(3)Li3Ni2 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the third F site, F(3) is bonded to one Li(1), two equivalent Li(2), and two equivalent Ni(2) atoms to form FLi3Ni2 square pyramids that share corners with two equivalent O(1)Li3Ni3 octahedra, corners with three equivalent F(2)Li3Ni2 square pyramids, corners with four equivalent F(1)Li3Ni2 square pyramids, edges with three equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one F(1)Li3Ni2 square pyramid, edges with two equivalent F(2)Li3Ni2 square pyramids, and edges with two equivalent F(3)Li3Ni2 square pyramids. The corner-sharing octahedral tilt angles range from 7-8°. is represented by the CIF card [CIF]
data_Li4Ni3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.157
_cell_length_c   5.897
_cell_angle_alpha   89.576
_cell_angle_beta   72.938
_cell_angle_gamma   79.974
_symmetry_Int_Tables_number   1
_cell_volume   146.796
_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
  F  F0  1  0.240  0.119  0.699  1.0
  F  F1  1  0.760  0.381  0.051  1.0
  F  F2  1  0.775  0.385  0.567  1.0
  F  F3  1  0.225  0.115  0.183  1.0
  F  F4  1  0.751  0.845  0.311  1.0
  F  F5  1  0.249  0.655  0.439  1.0
  Li  Li6  1  0.985  0.980  0.997  1.0
  Li  Li7  1  0.015  0.520  0.753  1.0
  Li  Li8  1  0.987  0.012  0.511  1.0
  Li  Li9  1  0.013  0.488  0.239  1.0
  Ni  Ni10  1  0.500  0.250  0.875  1.0
  Ni  Ni11  1  0.502  0.751  0.636  1.0
  Ni  Ni12  1  0.498  0.749  0.114  1.0
  O  O13  1  0.730  0.890  0.817  1.0
  O  O14  1  0.270  0.610  0.933  1.0
[/CIF]
.