The material structure described by Li2NiO2F is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(7), one O(8), one F(3), and one F(4) atom to form LiO4F2 octahedra that share corners with two equivalent Li(6)O4F2 octahedra, corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent Ni(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Ni(3)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, edges with two equivalent Ni(1)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(8), one F(1), and one F(4) atom to form LiO4F2 octahedra that share corners with two equivalent Li(5)O4F2 octahedra, corners with two equivalent Ni(1)O4F2 octahedra, corners with two equivalent Ni(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, edges with two equivalent Ni(1)O4F2 octahedra, and edges with two equivalent Ni(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent Ni(2)O4F2 octahedra, corners with two equivalent Ni(3)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, edges with two equivalent Ni(1)O4F2 octahedra, and edges with two equivalent Ni(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fourth Li site, Li(4) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(5)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra, corners with two equivalent Ni(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Ni(4)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Ni(2)O4F2 octahedra, and edges with two equivalent Ni(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the fifth Li site, Li(5) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Ni(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Ni(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Ni(2)O4F2 octahedra, and edges with two equivalent Ni(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the sixth Li site, Li(6) is bonded to one O(4), one O(5), one O(6), one O(7), one F(2), and one F(3) atom to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Ni(2)O4F2 octahedra, corners with two equivalent Ni(3)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Ni(3)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the seventh Li site, Li(7) is bonded to one O(5), one O(6), one O(7), one O(8), one F(3), and one F(4) atom to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Ni(1)O4F2 octahedra, corners with two equivalent Ni(4)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, edges with two equivalent Ni(3)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one O(7), one O(8), one F(3), and one F(4) atom to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Ni(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Ni(2)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Ni(1)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(8), one F(1), and one F(4) atom to form NiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Ni(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, and edges with two equivalent Ni(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form NiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(6)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Ni(3)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, and edges with two equivalent Ni(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the third Ni site, Ni(3) is bonded to one O(4), one O(5), one O(6), one O(7), one F(2), and one F(3) atom to form NiO4F2 octahedra that share corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(6)O4F2 octahedra, corners with two equivalent Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Ni(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Ni site, Ni(4) is bonded to one O(5), one O(6), one O(7), one O(8), one F(3), and one F(4) atom to form NiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(5)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Ni(1)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, and edges with two equivalent Ni(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(8), one Ni(1), and one Ni(2) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra, corners with two equivalent O(7)Li4Ni2 octahedra,  an edgeedge with one F(2)Li4Ni2 octahedra,  an edgeedge with one F(3)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, edges with two equivalent F(1)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(8), one Ni(1), and one Ni(2) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent F(2)Li4Ni2 octahedra, corners with two equivalent F(3)Li4Ni2 octahedra,  an edgeedge with one O(4)Li4Ni2 octahedra,  an edgeedge with one O(7)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, edges with two equivalent F(1)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Ni(1), and one Ni(2) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(6)Li4Ni2 octahedra, corners with two equivalent O(8)Li4Ni2 octahedra, corners with two equivalent F(1)Li4Ni2 octahedra,  an edgeedge with one O(5)Li4Ni2 octahedra,  an edgeedge with one F(4)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, edges with two equivalent F(1)Li4Ni2 octahedra, and edges with two equivalent F(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Ni(2), and one Ni(3) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent O(7)Li4Ni2 octahedra, corners with two equivalent F(2)Li4Ni2 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra,  an edgeedge with one F(3)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, edges with two equivalent F(1)Li4Ni2 octahedra, and edges with two equivalent F(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the fifth O site, O(5) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), one Ni(3), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(6)Li4Ni2 octahedra, corners with two equivalent F(1)Li4Ni2 octahedra, corners with two equivalent F(4)Li4Ni2 octahedra,  an edgeedge with one O(3)Li4Ni2 octahedra,  an edgeedge with one O(8)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent F(2)Li4Ni2 octahedra, and edges with two equivalent F(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), one Ni(3), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(3)Li4Ni2 octahedra, corners with two equivalent O(5)Li4Ni2 octahedra, corners with two equivalent O(8)Li4Ni2 octahedra,  an edgeedge with one F(1)Li4Ni2 octahedra,  an edgeedge with one F(4)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent F(2)Li4Ni2 octahedra, and edges with two equivalent F(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one Li(7), one Li(8), one Ni(3), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra, corners with two equivalent F(3)Li4Ni2 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra,  an edgeedge with one F(2)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, edges with two equivalent F(3)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(7), one Li(8), one Ni(1), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(3)Li4Ni2 octahedra, corners with two equivalent O(6)Li4Ni2 octahedra, corners with two equivalent F(4)Li4Ni2 octahedra,  an edgeedge with one O(5)Li4Ni2 octahedra,  an edgeedge with one F(1)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent F(3)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Ni(1), and one Ni(2) atom to form FLi4Ni2 octahedra that share corners with two equivalent O(3)Li4Ni2 octahedra, corners with two equivalent O(5)Li4Ni2 octahedra, corners with two equivalent F(4)Li4Ni2 octahedra,  an edgeedge with one O(6)Li4Ni2 octahedra,  an edgeedge with one O(8)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with two equivalent F(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second F site, F(2) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Ni(2), and one Ni(3) atom to form FLi4Ni2 octahedra that share corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra, corners with two equivalent F(3)Li4Ni2 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra,  an edgeedge with one O(7)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, and edges with two equivalent F(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third F site, F(3) is bonded to one Li(1), one Li(6), one Li(7), one Li(8), one Ni(3), and one Ni(4) atom to form FLi4Ni2 octahedra that share corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(7)Li4Ni2 octahedra, corners with two equivalent F(2)Li4Ni2 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra,  an edgeedge with one O(4)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Li(7), one Li(8), one Ni(1), and one Ni(4) atom to form FLi4Ni2 octahedra that share corners with two equivalent O(5)Li4Ni2 octahedra, corners with two equivalent O(8)Li4Ni2 octahedra, corners with two equivalent F(1)Li4Ni2 octahedra,  an edgeedge with one O(3)Li4Ni2 octahedra,  an edgeedge with one O(6)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, and edges with two equivalent F(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. is represented by the CIF card [CIF]
data_Li2NiO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   9.164
_cell_length_c   5.020
_cell_angle_alpha   100.000
_cell_angle_beta   71.093
_cell_angle_gamma   78.726
_symmetry_Int_Tables_number   1
_cell_volume   207.205
_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  0.995  0.995  0.491  1.0
  Li  Li1  1  0.582  0.832  0.407  1.0
  Li  Li2  1  0.165  0.670  0.348  1.0
  Li  Li3  1  0.741  0.495  0.272  1.0
  Li  Li4  1  0.246  0.495  0.742  1.0
  Li  Li5  1  0.327  0.333  0.169  1.0
  Li  Li6  1  0.426  0.171  0.590  1.0
  Li  Li7  1  0.527  0.995  0.987  1.0
  Ni  Ni8  1  0.094  0.834  0.907  1.0
  Ni  Ni9  1  0.659  0.672  0.825  1.0
  Ni  Ni10  1  0.824  0.334  0.678  1.0
  Ni  Ni11  1  0.903  0.172  0.081  1.0
  O  O12  1  0.346  0.824  0.120  1.0
  O  O13  1  0.861  0.826  0.682  1.0
  O  O14  1  0.400  0.674  0.618  1.0
  O  O15  1  0.954  0.500  0.550  1.0
  O  O16  1  0.605  0.326  0.437  1.0
  O  O17  1  0.046  0.325  0.920  1.0
  O  O18  1  0.694  0.174  0.824  1.0
  O  O19  1  0.801  0.000  0.203  1.0
  F  F20  1  0.894  0.665  0.100  1.0
  F  F21  1  0.466  0.501  0.031  1.0
  F  F22  1  0.185  0.165  0.308  1.0
  F  F23  1  0.280  0.001  0.715  1.0
[/CIF]
.
The material structure described by Li2NiO2F is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(7), one O(8), one F(3), and one F(4) atom to form LiO4F2 octahedra that share corners with two equivalent Li(6)O4F2 octahedra, corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent Ni(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Ni(3)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, edges with two equivalent Ni(1)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(8), one F(1), and one F(4) atom to form LiO4F2 octahedra that share corners with two equivalent Li(5)O4F2 octahedra, corners with two equivalent Ni(1)O4F2 octahedra, corners with two equivalent Ni(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, edges with two equivalent Ni(1)O4F2 octahedra, and edges with two equivalent Ni(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent Ni(2)O4F2 octahedra, corners with two equivalent Ni(3)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, edges with two equivalent Ni(1)O4F2 octahedra, and edges with two equivalent Ni(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fourth Li site, Li(4) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(5)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra, corners with two equivalent Ni(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Ni(4)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Ni(2)O4F2 octahedra, and edges with two equivalent Ni(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the fifth Li site, Li(5) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Ni(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Ni(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Ni(2)O4F2 octahedra, and edges with two equivalent Ni(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the sixth Li site, Li(6) is bonded to one O(4), one O(5), one O(6), one O(7), one F(2), and one F(3) atom to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Ni(2)O4F2 octahedra, corners with two equivalent Ni(3)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Ni(3)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the seventh Li site, Li(7) is bonded to one O(5), one O(6), one O(7), one O(8), one F(3), and one F(4) atom to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Ni(1)O4F2 octahedra, corners with two equivalent Ni(4)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, edges with two equivalent Ni(3)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one O(7), one O(8), one F(3), and one F(4) atom to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Ni(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Ni(2)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Ni(1)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(8), one F(1), and one F(4) atom to form NiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Ni(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, and edges with two equivalent Ni(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form NiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(6)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Ni(3)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, and edges with two equivalent Ni(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the third Ni site, Ni(3) is bonded to one O(4), one O(5), one O(6), one O(7), one F(2), and one F(3) atom to form NiO4F2 octahedra that share corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(6)O4F2 octahedra, corners with two equivalent Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Ni(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(5)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, and edges with two equivalent Ni(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Ni site, Ni(4) is bonded to one O(5), one O(6), one O(7), one O(8), one F(3), and one F(4) atom to form NiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(5)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Ni(1)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, and edges with two equivalent Ni(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(8), one Ni(1), and one Ni(2) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra, corners with two equivalent O(7)Li4Ni2 octahedra,  an edgeedge with one F(2)Li4Ni2 octahedra,  an edgeedge with one F(3)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, edges with two equivalent F(1)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(8), one Ni(1), and one Ni(2) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent F(2)Li4Ni2 octahedra, corners with two equivalent F(3)Li4Ni2 octahedra,  an edgeedge with one O(4)Li4Ni2 octahedra,  an edgeedge with one O(7)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, edges with two equivalent F(1)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Ni(1), and one Ni(2) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(6)Li4Ni2 octahedra, corners with two equivalent O(8)Li4Ni2 octahedra, corners with two equivalent F(1)Li4Ni2 octahedra,  an edgeedge with one O(5)Li4Ni2 octahedra,  an edgeedge with one F(4)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, edges with two equivalent F(1)Li4Ni2 octahedra, and edges with two equivalent F(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Ni(2), and one Ni(3) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent O(7)Li4Ni2 octahedra, corners with two equivalent F(2)Li4Ni2 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra,  an edgeedge with one F(3)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, edges with two equivalent F(1)Li4Ni2 octahedra, and edges with two equivalent F(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the fifth O site, O(5) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), one Ni(3), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(6)Li4Ni2 octahedra, corners with two equivalent F(1)Li4Ni2 octahedra, corners with two equivalent F(4)Li4Ni2 octahedra,  an edgeedge with one O(3)Li4Ni2 octahedra,  an edgeedge with one O(8)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent F(2)Li4Ni2 octahedra, and edges with two equivalent F(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), one Ni(3), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(3)Li4Ni2 octahedra, corners with two equivalent O(5)Li4Ni2 octahedra, corners with two equivalent O(8)Li4Ni2 octahedra,  an edgeedge with one F(1)Li4Ni2 octahedra,  an edgeedge with one F(4)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent F(2)Li4Ni2 octahedra, and edges with two equivalent F(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one Li(7), one Li(8), one Ni(3), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra, corners with two equivalent F(3)Li4Ni2 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra,  an edgeedge with one F(2)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, edges with two equivalent F(3)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(7), one Li(8), one Ni(1), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with two equivalent O(3)Li4Ni2 octahedra, corners with two equivalent O(6)Li4Ni2 octahedra, corners with two equivalent F(4)Li4Ni2 octahedra,  an edgeedge with one O(5)Li4Ni2 octahedra,  an edgeedge with one F(1)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent F(3)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Ni(1), and one Ni(2) atom to form FLi4Ni2 octahedra that share corners with two equivalent O(3)Li4Ni2 octahedra, corners with two equivalent O(5)Li4Ni2 octahedra, corners with two equivalent F(4)Li4Ni2 octahedra,  an edgeedge with one O(6)Li4Ni2 octahedra,  an edgeedge with one O(8)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with two equivalent F(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second F site, F(2) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Ni(2), and one Ni(3) atom to form FLi4Ni2 octahedra that share corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra, corners with two equivalent F(3)Li4Ni2 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra,  an edgeedge with one O(7)Li4Ni2 octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, and edges with two equivalent F(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third F site, F(3) is bonded to one Li(1), one Li(6), one Li(7), one Li(8), one Ni(3), and one Ni(4) atom to form FLi4Ni2 octahedra that share corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(7)Li4Ni2 octahedra, corners with two equivalent F(2)Li4Ni2 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra,  an edgeedge with one O(4)Li4Ni2 octahedra, edges with two equivalent O(5)Li4Ni2 octahedra, edges with two equivalent O(6)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, and edges with two equivalent F(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Li(7), one Li(8), one Ni(1), and one Ni(4) atom to form FLi4Ni2 octahedra that share corners with two equivalent O(5)Li4Ni2 octahedra, corners with two equivalent O(8)Li4Ni2 octahedra, corners with two equivalent F(1)Li4Ni2 octahedra,  an edgeedge with one O(3)Li4Ni2 octahedra,  an edgeedge with one O(6)Li4Ni2 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(7)Li4Ni2 octahedra, edges with two equivalent O(8)Li4Ni2 octahedra, and edges with two equivalent F(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. is represented by the CIF card [CIF]
data_Li2NiO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   9.164
_cell_length_c   5.020
_cell_angle_alpha   100.000
_cell_angle_beta   71.093
_cell_angle_gamma   78.726
_symmetry_Int_Tables_number   1
_cell_volume   207.205
_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  0.995  0.995  0.491  1.0
  Li  Li1  1  0.582  0.832  0.407  1.0
  Li  Li2  1  0.165  0.670  0.348  1.0
  Li  Li3  1  0.741  0.495  0.272  1.0
  Li  Li4  1  0.246  0.495  0.742  1.0
  Li  Li5  1  0.327  0.333  0.169  1.0
  Li  Li6  1  0.426  0.171  0.590  1.0
  Li  Li7  1  0.527  0.995  0.987  1.0
  Ni  Ni8  1  0.094  0.834  0.907  1.0
  Ni  Ni9  1  0.659  0.672  0.825  1.0
  Ni  Ni10  1  0.824  0.334  0.678  1.0
  Ni  Ni11  1  0.903  0.172  0.081  1.0
  O  O12  1  0.346  0.824  0.120  1.0
  O  O13  1  0.861  0.826  0.682  1.0
  O  O14  1  0.400  0.674  0.618  1.0
  O  O15  1  0.954  0.500  0.550  1.0
  O  O16  1  0.605  0.326  0.437  1.0
  O  O17  1  0.046  0.325  0.920  1.0
  O  O18  1  0.694  0.174  0.824  1.0
  O  O19  1  0.801  0.000  0.203  1.0
  F  F20  1  0.894  0.665  0.100  1.0
  F  F21  1  0.466  0.501  0.031  1.0
  F  F22  1  0.185  0.165  0.308  1.0
  F  F23  1  0.280  0.001  0.715  1.0
[/CIF]
.