The crystal structure described by Li8Ni(O2F)2 crystallizes in the triclinic P-1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(5), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra, corners with two equivalent Li(11)O3F tetrahedra, corners with two equivalent Li(7)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(5)O3F tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the second Li site, Li(2) is bonded to one O(2), one O(6), and two equivalent F(2) atoms to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  an edgeedge with one Ni(2)O4F2 octahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the third Li site, Li(3) is bonded to one O(3), one O(7), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(3)O4F2 octahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(5)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the fourth Li site, Li(4) is bonded to one O(4), one O(8), and two equivalent F(4) atoms to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(3)O4F2 octahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra,  an edgeedge with one Ni(3)O4F2 octahedra,  an edgeedge with one Li(4)O2F2 tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the fifth Li site, Li(5) is bonded to one O(1), one O(4), one O(7), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Ni(1)O4F2 octahedra,  a cornercorner with one Li(4)O2F2 tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(12)O3F tetrahedra,  an edgeedge with one Ni(3)O4F2 octahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(6), and one F(2) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Ni(2)O4F2 octahedra,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), and one F(3) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Ni(1)O4F2 octahedra,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  an edgeedge with one Ni(2)O4F2 octahedra,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the eighth Li site, Li(8) is bonded to one O(1), one O(4), one O(8), and one F(4) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Ni(3)O4F2 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(11)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(4)O2F2 tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(5)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the ninth Li site, Li(9) is bonded to one O(3), one O(5), one O(6), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the tenth Li site, Li(10) is bonded to one O(2), one O(5), one O(6), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(7)O3F tetrahedra,  an edgeedge with one Ni(2)O4F2 octahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(7), one O(8), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(3)O4F2 octahedra,  a cornercorner with one Li(4)O2F2 tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(8)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(5)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the twelfth Li site, Li(12) is bonded to one O(4), one O(7), one O(8), and one F(4) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(3)O4F2 octahedra,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(5)O3F tetrahedra,  an edgeedge with one Ni(3)O4F2 octahedra,  an edgeedge with one Li(4)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the thirteenth Li site, Li(13) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one F(3) atom. In the fourteenth Li site, Li(14) is bonded in a 5-coordinate geometry to one O(5), one O(6), two equivalent O(2), and one F(2) atom. In the fifteenth Li site, Li(15) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(7), one O(8), and one F(1) atom. In the sixteenth Li site, Li(16) is bonded in a 5-coordinate geometry to one O(7), one O(8), two equivalent O(4), and one F(4) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(3) atom to form NiO4F2 octahedra that share  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(5)O3F tetrahedra, corners with two equivalent Li(7)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(2) atoms to form NiO4F2 octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra, corners with four equivalent Li(6)O3F tetrahedra, edges with two equivalent Li(2)O2F2 tetrahedra, edges with two equivalent Li(10)O3F tetrahedra, and edges with two equivalent Li(7)O3F tetrahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent F(4) atoms to form NiO4F2 octahedra that share corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(11)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with four equivalent Li(8)O3F tetrahedra, edges with two equivalent Li(4)O2F2 tetrahedra, edges with two equivalent Li(12)O3F tetrahedra, and edges with two equivalent Li(5)O3F tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(11), one Li(13), one Li(15), one Li(5), one Li(8), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OLi6Ni pentagonal bipyramids. In the second O site, O(2) is bonded to one Li(10), one Li(2), one Li(6), one Li(7), two equivalent Li(14), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi6Ni pentagonal bipyramids. In the third O site, O(3) is bonded to one Li(13), one Li(15), one Li(3), one Li(6), one Li(7), one Li(9), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OLi6Ni pentagonal bipyramids. In the fourth O site, O(4) is bonded to one Li(12), one Li(4), one Li(5), one Li(8), two equivalent Li(16), and one Ni(3) atom to form a mixture of distorted corner and edge-sharing OLi6Ni pentagonal bipyramids. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(13), one Li(14), one Li(7), one Li(9), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(6), one Li(9), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(11), one Li(12), one Li(15), one Li(16), one Li(3), one Li(5), and one Ni(3) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(12), one Li(15), one Li(16), one Li(4), one Li(8), and one Ni(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(15), one Li(3), one Li(5), one Li(9), and one Ni(1) atom. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Li(10), one Li(14), one Li(6), two equivalent Li(2), and one Ni(2) atom. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(11), one Li(13), one Li(3), one Li(7), and one Ni(1) atom. In the fourth F site, F(4) is bonded in a 6-coordinate geometry to one Li(12), one Li(16), one Li(8), two equivalent Li(4), and one Ni(3) atom. is represented by the CIF file [CIF]
data_Li8Ni(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   5.475
_cell_length_c   6.006
_cell_angle_alpha   63.637
_cell_angle_beta   63.931
_cell_angle_gamma   60.662
_symmetry_Int_Tables_number   1
_cell_volume   134.671
_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  0.101  0.411  0.723  1.0
  F  F1  1  0.899  0.589  0.277  1.0
  Li  Li2  1  0.244  0.535  0.338  1.0
  Li  Li3  1  0.756  0.464  0.662  1.0
  Li  Li4  1  0.109  0.787  0.648  1.0
  Li  Li5  1  0.891  0.213  0.352  1.0
  Li  Li6  1  0.486  0.103  0.636  1.0
  Li  Li7  1  0.514  0.897  0.364  1.0
  Li  Li8  1  0.594  0.710  0.003  1.0
  Li  Li9  1  0.406  0.290  0.997  1.0
  Ni  Ni10  1  1.000  1.000  0.000  1.0
  O  O11  1  0.239  0.921  0.236  1.0
  O  O12  1  0.761  0.079  0.764  1.0
  O  O13  1  0.605  0.241  0.236  1.0
  O  O14  1  0.395  0.759  0.764  1.0
[/CIF]
.
The crystal structure described by Li8Ni(O2F)2 crystallizes in the triclinic P-1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(5), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra, corners with two equivalent Li(11)O3F tetrahedra, corners with two equivalent Li(7)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(5)O3F tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the second Li site, Li(2) is bonded to one O(2), one O(6), and two equivalent F(2) atoms to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  an edgeedge with one Ni(2)O4F2 octahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the third Li site, Li(3) is bonded to one O(3), one O(7), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(3)O4F2 octahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(5)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the fourth Li site, Li(4) is bonded to one O(4), one O(8), and two equivalent F(4) atoms to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(3)O4F2 octahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra,  an edgeedge with one Ni(3)O4F2 octahedra,  an edgeedge with one Li(4)O2F2 tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the fifth Li site, Li(5) is bonded to one O(1), one O(4), one O(7), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Ni(1)O4F2 octahedra,  a cornercorner with one Li(4)O2F2 tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(12)O3F tetrahedra,  an edgeedge with one Ni(3)O4F2 octahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(6), and one F(2) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Ni(2)O4F2 octahedra,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), and one F(3) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Ni(1)O4F2 octahedra,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  an edgeedge with one Ni(2)O4F2 octahedra,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the eighth Li site, Li(8) is bonded to one O(1), one O(4), one O(8), and one F(4) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Ni(3)O4F2 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(11)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(4)O2F2 tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(5)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the ninth Li site, Li(9) is bonded to one O(3), one O(5), one O(6), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the tenth Li site, Li(10) is bonded to one O(2), one O(5), one O(6), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(7)O3F tetrahedra,  an edgeedge with one Ni(2)O4F2 octahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(7), one O(8), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(3)O4F2 octahedra,  a cornercorner with one Li(4)O2F2 tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(8)O3F tetrahedra,  an edgeedge with one Ni(1)O4F2 octahedra,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(5)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the twelfth Li site, Li(12) is bonded to one O(4), one O(7), one O(8), and one F(4) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(1)O4F2 octahedra,  a cornercorner with one Ni(3)O4F2 octahedra,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(5)O3F tetrahedra,  an edgeedge with one Ni(3)O4F2 octahedra,  an edgeedge with one Li(4)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the thirteenth Li site, Li(13) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one F(3) atom. In the fourteenth Li site, Li(14) is bonded in a 5-coordinate geometry to one O(5), one O(6), two equivalent O(2), and one F(2) atom. In the fifteenth Li site, Li(15) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(7), one O(8), and one F(1) atom. In the sixteenth Li site, Li(16) is bonded in a 5-coordinate geometry to one O(7), one O(8), two equivalent O(4), and one F(4) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(3) atom to form NiO4F2 octahedra that share  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(5)O3F tetrahedra, corners with two equivalent Li(7)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(2) atoms to form NiO4F2 octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra, corners with four equivalent Li(6)O3F tetrahedra, edges with two equivalent Li(2)O2F2 tetrahedra, edges with two equivalent Li(10)O3F tetrahedra, and edges with two equivalent Li(7)O3F tetrahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent F(4) atoms to form NiO4F2 octahedra that share corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(11)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with four equivalent Li(8)O3F tetrahedra, edges with two equivalent Li(4)O2F2 tetrahedra, edges with two equivalent Li(12)O3F tetrahedra, and edges with two equivalent Li(5)O3F tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(11), one Li(13), one Li(15), one Li(5), one Li(8), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OLi6Ni pentagonal bipyramids. In the second O site, O(2) is bonded to one Li(10), one Li(2), one Li(6), one Li(7), two equivalent Li(14), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi6Ni pentagonal bipyramids. In the third O site, O(3) is bonded to one Li(13), one Li(15), one Li(3), one Li(6), one Li(7), one Li(9), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OLi6Ni pentagonal bipyramids. In the fourth O site, O(4) is bonded to one Li(12), one Li(4), one Li(5), one Li(8), two equivalent Li(16), and one Ni(3) atom to form a mixture of distorted corner and edge-sharing OLi6Ni pentagonal bipyramids. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(13), one Li(14), one Li(7), one Li(9), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(6), one Li(9), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(11), one Li(12), one Li(15), one Li(16), one Li(3), one Li(5), and one Ni(3) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(12), one Li(15), one Li(16), one Li(4), one Li(8), and one Ni(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(15), one Li(3), one Li(5), one Li(9), and one Ni(1) atom. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Li(10), one Li(14), one Li(6), two equivalent Li(2), and one Ni(2) atom. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(11), one Li(13), one Li(3), one Li(7), and one Ni(1) atom. In the fourth F site, F(4) is bonded in a 6-coordinate geometry to one Li(12), one Li(16), one Li(8), two equivalent Li(4), and one Ni(3) atom. is represented by the CIF file [CIF]
data_Li8Ni(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   5.475
_cell_length_c   6.006
_cell_angle_alpha   63.637
_cell_angle_beta   63.931
_cell_angle_gamma   60.662
_symmetry_Int_Tables_number   1
_cell_volume   134.671
_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  0.101  0.411  0.723  1.0
  F  F1  1  0.899  0.589  0.277  1.0
  Li  Li2  1  0.244  0.535  0.338  1.0
  Li  Li3  1  0.756  0.464  0.662  1.0
  Li  Li4  1  0.109  0.787  0.648  1.0
  Li  Li5  1  0.891  0.213  0.352  1.0
  Li  Li6  1  0.486  0.103  0.636  1.0
  Li  Li7  1  0.514  0.897  0.364  1.0
  Li  Li8  1  0.594  0.710  0.003  1.0
  Li  Li9  1  0.406  0.290  0.997  1.0
  Ni  Ni10  1  1.000  1.000  0.000  1.0
  O  O11  1  0.239  0.921  0.236  1.0
  O  O12  1  0.761  0.079  0.764  1.0
  O  O13  1  0.605  0.241  0.236  1.0
  O  O14  1  0.395  0.759  0.764  1.0
[/CIF]
.