The crystal structure described by Li8Ni(O2F)2 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one F(2) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(7)O2F2 trigonal pyramids,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one F(2) atom to form LiO3F tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(7)O2F2 trigonal pyramids,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(6)O2F2 tetrahedra, corners with three equivalent Li(8)O3F tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(7)O2F2 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(3), and one F(2) atom. In the fifth Li site, Li(5) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one F(1), and one F(2) atom to form distorted LiO2F2 tetrahedra that share corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent Li(8)O3F tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(7)O2F2 trigonal pyramid. In the seventh Li site, Li(7) is bonded to one O(3), one O(4), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(6)O2F2 tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(7)O2F2 trigonal pyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(6), one Li(8), two equivalent Li(5), and one Ni(1) atom to form distorted OLi6Ni pentagonal bipyramids that share  a cornercorner with one O(1)Li6Ni pentagonal bipyramid, corners with three equivalent F(1)Li4 trigonal pyramids,  an edgeedge with one O(1)Li6Ni pentagonal bipyramid,  an edgeedge with one O(3)Li6Ni pentagonal bipyramid, and  an edgeedge with one O(4)Li5Ni pentagonal pyramid. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(5), one Li(6), one Li(8), and one Ni(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(7), two equivalent Li(4), and one Ni(2) atom to form distorted OLi6Ni pentagonal bipyramids that share  a cornercorner with one O(3)Li6Ni pentagonal bipyramid,  a cornercorner with one O(4)Li5Ni pentagonal pyramid,  an edgeedge with one O(1)Li6Ni pentagonal bipyramid,  an edgeedge with one O(3)Li6Ni pentagonal bipyramid, edges with three equivalent O(4)Li5Ni pentagonal pyramids, and  an edgeedge with one F(1)Li4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Li(7), one Li(8), and one Ni(2) atom to form distorted OLi5Ni pentagonal pyramids that share  a cornercorner with one O(3)Li6Ni pentagonal bipyramid,  a cornercorner with one O(4)Li5Ni pentagonal pyramid,  an edgeedge with one O(1)Li6Ni pentagonal bipyramid, edges with three equivalent O(3)Li6Ni pentagonal bipyramids, and  an edgeedge with one F(1)Li4 trigonal pyramid. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(6), one Li(7), and one Li(8) atom to form distorted FLi4 trigonal pyramids that share corners with three equivalent O(1)Li6Ni pentagonal bipyramids,  an edgeedge with one O(3)Li6Ni pentagonal bipyramid, and  an edgeedge with one O(4)Li5Ni pentagonal pyramid. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), and one Li(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8Ni(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.440
_cell_length_b   5.182
_cell_length_c   10.515
_cell_angle_alpha   79.768
_cell_angle_beta   76.842
_cell_angle_gamma   63.997
_symmetry_Int_Tables_number   1
_cell_volume   258.372
_cell_formula_units_Z   2
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  0.161  0.750  0.682  1.0
  Li  Li1  1  0.168  0.618  0.318  1.0
  Li  Li2  1  0.116  0.370  0.812  1.0
  Li  Li3  1  0.142  0.253  0.471  1.0
  Li  Li4  1  0.239  0.414  0.014  1.0
  Li  Li5  1  0.236  0.982  0.174  1.0
  Li  Li6  1  0.470  0.074  0.654  1.0
  Li  Li7  1  0.548  0.335  0.173  1.0
  Li  Li8  1  0.452  0.665  0.827  1.0
  Li  Li9  1  0.530  0.926  0.346  1.0
  Li  Li10  1  0.764  0.018  0.826  1.0
  Li  Li11  1  0.761  0.586  0.986  1.0
  Li  Li12  1  0.858  0.747  0.529  1.0
  Li  Li13  1  0.832  0.382  0.682  1.0
  Li  Li14  1  0.884  0.630  0.188  1.0
  Li  Li15  1  0.839  0.250  0.318  1.0
  Ni  Ni16  1  0.000  0.000  0.000  1.0
  Ni  Ni17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.069  0.707  0.883  1.0
  O  O19  1  0.218  0.674  0.123  1.0
  O  O20  1  0.178  0.431  0.613  1.0
  O  O21  1  0.476  0.297  0.371  1.0
  O  O22  1  0.524  0.703  0.629  1.0
  O  O23  1  0.822  0.569  0.387  1.0
  O  O24  1  0.782  0.326  0.877  1.0
  O  O25  1  0.931  0.293  0.117  1.0
  F  F26  1  0.426  0.033  0.844  1.0
  F  F27  1  0.154  0.958  0.363  1.0
  F  F28  1  0.846  0.042  0.637  1.0
  F  F29  1  0.574  0.967  0.156  1.0
[/CIF]
.
The crystal structure described by Li8Ni(O2F)2 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one F(2) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(7)O2F2 trigonal pyramids,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one F(2) atom to form LiO3F tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(7)O2F2 trigonal pyramids,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(6)O2F2 tetrahedra, corners with three equivalent Li(8)O3F tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(7)O2F2 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(3), and one F(2) atom. In the fifth Li site, Li(5) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one F(1), and one F(2) atom to form distorted LiO2F2 tetrahedra that share corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent Li(8)O3F tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(7)O2F2 trigonal pyramid. In the seventh Li site, Li(7) is bonded to one O(3), one O(4), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(6)O2F2 tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(7)O2F2 trigonal pyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(6), one Li(8), two equivalent Li(5), and one Ni(1) atom to form distorted OLi6Ni pentagonal bipyramids that share  a cornercorner with one O(1)Li6Ni pentagonal bipyramid, corners with three equivalent F(1)Li4 trigonal pyramids,  an edgeedge with one O(1)Li6Ni pentagonal bipyramid,  an edgeedge with one O(3)Li6Ni pentagonal bipyramid, and  an edgeedge with one O(4)Li5Ni pentagonal pyramid. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(5), one Li(6), one Li(8), and one Ni(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(7), two equivalent Li(4), and one Ni(2) atom to form distorted OLi6Ni pentagonal bipyramids that share  a cornercorner with one O(3)Li6Ni pentagonal bipyramid,  a cornercorner with one O(4)Li5Ni pentagonal pyramid,  an edgeedge with one O(1)Li6Ni pentagonal bipyramid,  an edgeedge with one O(3)Li6Ni pentagonal bipyramid, edges with three equivalent O(4)Li5Ni pentagonal pyramids, and  an edgeedge with one F(1)Li4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Li(7), one Li(8), and one Ni(2) atom to form distorted OLi5Ni pentagonal pyramids that share  a cornercorner with one O(3)Li6Ni pentagonal bipyramid,  a cornercorner with one O(4)Li5Ni pentagonal pyramid,  an edgeedge with one O(1)Li6Ni pentagonal bipyramid, edges with three equivalent O(3)Li6Ni pentagonal bipyramids, and  an edgeedge with one F(1)Li4 trigonal pyramid. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(6), one Li(7), and one Li(8) atom to form distorted FLi4 trigonal pyramids that share corners with three equivalent O(1)Li6Ni pentagonal bipyramids,  an edgeedge with one O(3)Li6Ni pentagonal bipyramid, and  an edgeedge with one O(4)Li5Ni pentagonal pyramid. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), and one Li(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8Ni(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.440
_cell_length_b   5.182
_cell_length_c   10.515
_cell_angle_alpha   79.768
_cell_angle_beta   76.842
_cell_angle_gamma   63.997
_symmetry_Int_Tables_number   1
_cell_volume   258.372
_cell_formula_units_Z   2
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  0.161  0.750  0.682  1.0
  Li  Li1  1  0.168  0.618  0.318  1.0
  Li  Li2  1  0.116  0.370  0.812  1.0
  Li  Li3  1  0.142  0.253  0.471  1.0
  Li  Li4  1  0.239  0.414  0.014  1.0
  Li  Li5  1  0.236  0.982  0.174  1.0
  Li  Li6  1  0.470  0.074  0.654  1.0
  Li  Li7  1  0.548  0.335  0.173  1.0
  Li  Li8  1  0.452  0.665  0.827  1.0
  Li  Li9  1  0.530  0.926  0.346  1.0
  Li  Li10  1  0.764  0.018  0.826  1.0
  Li  Li11  1  0.761  0.586  0.986  1.0
  Li  Li12  1  0.858  0.747  0.529  1.0
  Li  Li13  1  0.832  0.382  0.682  1.0
  Li  Li14  1  0.884  0.630  0.188  1.0
  Li  Li15  1  0.839  0.250  0.318  1.0
  Ni  Ni16  1  0.000  0.000  0.000  1.0
  Ni  Ni17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.069  0.707  0.883  1.0
  O  O19  1  0.218  0.674  0.123  1.0
  O  O20  1  0.178  0.431  0.613  1.0
  O  O21  1  0.476  0.297  0.371  1.0
  O  O22  1  0.524  0.703  0.629  1.0
  O  O23  1  0.822  0.569  0.387  1.0
  O  O24  1  0.782  0.326  0.877  1.0
  O  O25  1  0.931  0.293  0.117  1.0
  F  F26  1  0.426  0.033  0.844  1.0
  F  F27  1  0.154  0.958  0.363  1.0
  F  F28  1  0.846  0.042  0.637  1.0
  F  F29  1  0.574  0.967  0.156  1.0
[/CIF]
.