The material described by Li7NiOF7 is beta Polonium-derived structured and crystallizes in the monoclinic Cm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), one F(4), one F(6), and two equivalent F(2) atoms to form LiO2F4 octahedra that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(7)OF5 octahedra, corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Ni(1)O2F4 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Ni(1)O2F4 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Li(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Li site, Li(2) is bonded to one F(3), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form LiF6 octahedra that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra, corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(3)OF5 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the third Li site, Li(3) is bonded to one O(1), one F(7), two equivalent F(1), and two equivalent F(4) atoms to form LiOF5 octahedra that share  a cornercorner with one Li(7)OF5 octahedra,  a cornercorner with one Ni(1)O2F4 octahedra, corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Li(5)F6 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Li(5)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Li(7)OF5 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth Li site, Li(4) is bonded to one F(1), one F(5), two equivalent F(3), and two equivalent F(7) atoms to form LiF6 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Ni(1)O2F4 octahedra, corners with two equivalent Li(5)F6 octahedra, corners with two equivalent Li(7)OF5 octahedra,  an edgeedge with one Li(5)F6 octahedra,  an edgeedge with one Li(7)OF5 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fifth Li site, Li(5) is bonded to one F(2), one F(6), two equivalent F(3), and two equivalent F(4) atoms to form LiF6 octahedra that share  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Li(1)O2F4 octahedra, corners with two equivalent Li(4)F6 octahedra, corners with two equivalent Li(3)OF5 octahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Li(3)OF5 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent Li(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the sixth Li site, Li(6) is bonded to one F(2), one F(3), two equivalent F(5), and two equivalent F(6) atoms to form LiF6 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra, corners with two equivalent Li(7)OF5 octahedra, corners with two equivalent Ni(1)O2F4 octahedra,  an edgeedge with one Li(7)OF5 octahedra,  an edgeedge with one Ni(1)O2F4 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, and edges with two equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the seventh Li site, Li(7) is bonded to one O(1), one F(4), two equivalent F(6), and two equivalent F(7) atoms to form LiOF5 octahedra that share  a cornercorner with one Li(1)O2F4 octahedra,  a cornercorner with one Li(3)OF5 octahedra, corners with two equivalent Li(4)F6 octahedra, corners with two equivalent Li(6)F6 octahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Li(6)F6 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Li(7)OF5 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. Ni(1) is bonded to two equivalent O(1), one F(1), one F(7), and two equivalent F(5) atoms to form NiO2F4 octahedra that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(3)OF5 octahedra, corners with two equivalent Li(6)F6 octahedra, corners with two equivalent Li(1)O2F4 octahedra,  an edgeedge with one Li(6)F6 octahedra,  an edgeedge with one Li(1)O2F4 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Li(7)OF5 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. O(1) is bonded to one Li(3), one Li(7), two equivalent Li(1), and two equivalent Ni(1) atoms to form OLi4Ni2 octahedra that share  a cornercorner with one F(7)Li5Ni octahedra,  a cornercorner with one F(4)Li6 octahedra, corners with two equivalent F(5)Li4Ni2 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one F(5)Li4Ni2 octahedra,  an edgeedge with one F(2)Li6 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(7)Li5Ni octahedra, edges with two equivalent F(4)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are seven inequivalent F sites. In the first F site, F(1) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(3), and one Ni(1) atom to form FLi5Ni octahedra that share  a cornercorner with one F(5)Li4Ni2 octahedra,  a cornercorner with one F(7)Li5Ni octahedra, corners with two equivalent F(2)Li6 octahedra, corners with two equivalent F(4)Li6 octahedra,  an edgeedge with one F(2)Li6 octahedra,  an edgeedge with one F(4)Li6 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(7)Li5Ni octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second F site, F(2) is bonded to one Li(5), one Li(6), two equivalent Li(1), and two equivalent Li(2) atoms to form FLi6 octahedra that share  a cornercorner with one F(3)Li6 octahedra,  a cornercorner with one F(6)Li6 octahedra, corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent F(1)Li5Ni octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra,  an edgeedge with one F(1)Li5Ni octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(3)Li6 octahedra, edges with two equivalent F(4)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third F site, F(3) is bonded to one Li(2), one Li(6), two equivalent Li(4), and two equivalent Li(5) atoms to form FLi6 octahedra that share  a cornercorner with one F(5)Li4Ni2 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with two equivalent F(7)Li5Ni octahedra, corners with two equivalent F(4)Li6 octahedra,  an edgeedge with one F(7)Li5Ni octahedra,  an edgeedge with one F(4)Li6 octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(3)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth F site, F(4) is bonded to one Li(1), one Li(7), two equivalent Li(3), and two equivalent Li(5) atoms to form FLi6 octahedra that share  a cornercorner with one O(1)Li4Ni2 octahedra,  a cornercorner with one F(6)Li6 octahedra, corners with two equivalent F(1)Li5Ni octahedra, corners with two equivalent F(3)Li6 octahedra,  an edgeedge with one F(1)Li5Ni octahedra,  an edgeedge with one F(3)Li6 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(7)Li5Ni octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(4)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fifth F site, F(5) is bonded to one Li(2), one Li(4), two equivalent Li(6), and two equivalent Ni(1) atoms to form FLi4Ni2 octahedra that share  a cornercorner with one F(1)Li5Ni octahedra,  a cornercorner with one F(3)Li6 octahedra, corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent F(6)Li6 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra,  an edgeedge with one F(6)Li6 octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(7)Li5Ni octahedra, edges with two equivalent F(2)Li6 octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth F site, F(6) is bonded to one Li(1), one Li(5), two equivalent Li(6), and two equivalent Li(7) atoms to form FLi6 octahedra that share  a cornercorner with one F(2)Li6 octahedra,  a cornercorner with one F(4)Li6 octahedra, corners with two equivalent F(5)Li4Ni2 octahedra, corners with two equivalent F(7)Li5Ni octahedra,  an edgeedge with one F(5)Li4Ni2 octahedra,  an edgeedge with one F(7)Li5Ni octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(3)Li6 octahedra, edges with two equivalent F(4)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the seventh F site, F(7) is bonded to one Li(3), two equivalent Li(4), two equivalent Li(7), and one Ni(1) atom to form FLi5Ni octahedra that share  a cornercorner with one O(1)Li4Ni2 octahedra,  a cornercorner with one F(1)Li5Ni octahedra, corners with two equivalent F(3)Li6 octahedra, corners with two equivalent F(6)Li6 octahedra,  an edgeedge with one F(3)Li6 octahedra,  an edgeedge with one F(6)Li6 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(7)Li5Ni octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7NiOF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.932
_cell_length_b   6.511
_cell_length_c   7.758
_cell_angle_alpha   85.340
_cell_angle_beta   79.130
_cell_angle_gamma   76.990
_symmetry_Int_Tables_number   1
_cell_volume   141.604
_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  0.192  0.686  0.929  1.0
  F  F1  1  0.310  0.811  0.567  1.0
  F  F2  1  0.938  0.436  0.688  1.0
  F  F3  1  0.067  0.552  0.316  1.0
  F  F4  1  0.562  0.063  0.813  1.0
  F  F5  1  0.681  0.192  0.445  1.0
  F  F6  1  0.813  0.321  0.055  1.0
  Li  Li7  1  0.879  0.879  0.362  1.0
  Li  Li8  1  0.758  0.744  0.739  1.0
  Li  Li9  1  0.614  0.630  0.141  1.0
  Li  Li10  1  0.372  0.385  0.871  1.0
  Li  Li11  1  0.500  0.502  0.497  1.0
  Li  Li12  1  0.130  0.126  0.614  1.0
  Li  Li13  1  0.251  0.239  0.259  1.0
  Ni  Ni14  1  0.994  0.995  0.019  1.0
  O  O15  1  0.438  0.939  0.184  1.0
[/CIF]
.
The material described by Li7NiOF7 is beta Polonium-derived structured and crystallizes in the monoclinic Cm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), one F(4), one F(6), and two equivalent F(2) atoms to form LiO2F4 octahedra that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(7)OF5 octahedra, corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Ni(1)O2F4 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Ni(1)O2F4 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Li(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Li site, Li(2) is bonded to one F(3), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form LiF6 octahedra that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra, corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(3)OF5 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the third Li site, Li(3) is bonded to one O(1), one F(7), two equivalent F(1), and two equivalent F(4) atoms to form LiOF5 octahedra that share  a cornercorner with one Li(7)OF5 octahedra,  a cornercorner with one Ni(1)O2F4 octahedra, corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Li(5)F6 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Li(5)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Li(7)OF5 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth Li site, Li(4) is bonded to one F(1), one F(5), two equivalent F(3), and two equivalent F(7) atoms to form LiF6 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Ni(1)O2F4 octahedra, corners with two equivalent Li(5)F6 octahedra, corners with two equivalent Li(7)OF5 octahedra,  an edgeedge with one Li(5)F6 octahedra,  an edgeedge with one Li(7)OF5 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fifth Li site, Li(5) is bonded to one F(2), one F(6), two equivalent F(3), and two equivalent F(4) atoms to form LiF6 octahedra that share  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Li(1)O2F4 octahedra, corners with two equivalent Li(4)F6 octahedra, corners with two equivalent Li(3)OF5 octahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Li(3)OF5 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent Li(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the sixth Li site, Li(6) is bonded to one F(2), one F(3), two equivalent F(5), and two equivalent F(6) atoms to form LiF6 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra, corners with two equivalent Li(7)OF5 octahedra, corners with two equivalent Ni(1)O2F4 octahedra,  an edgeedge with one Li(7)OF5 octahedra,  an edgeedge with one Ni(1)O2F4 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(6)F6 octahedra, and edges with two equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the seventh Li site, Li(7) is bonded to one O(1), one F(4), two equivalent F(6), and two equivalent F(7) atoms to form LiOF5 octahedra that share  a cornercorner with one Li(1)O2F4 octahedra,  a cornercorner with one Li(3)OF5 octahedra, corners with two equivalent Li(4)F6 octahedra, corners with two equivalent Li(6)F6 octahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Li(6)F6 octahedra, edges with two equivalent Li(5)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Li(7)OF5 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. Ni(1) is bonded to two equivalent O(1), one F(1), one F(7), and two equivalent F(5) atoms to form NiO2F4 octahedra that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(3)OF5 octahedra, corners with two equivalent Li(6)F6 octahedra, corners with two equivalent Li(1)O2F4 octahedra,  an edgeedge with one Li(6)F6 octahedra,  an edgeedge with one Li(1)O2F4 octahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Li(7)OF5 octahedra, and edges with two equivalent Ni(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. O(1) is bonded to one Li(3), one Li(7), two equivalent Li(1), and two equivalent Ni(1) atoms to form OLi4Ni2 octahedra that share  a cornercorner with one F(7)Li5Ni octahedra,  a cornercorner with one F(4)Li6 octahedra, corners with two equivalent F(5)Li4Ni2 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one F(5)Li4Ni2 octahedra,  an edgeedge with one F(2)Li6 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(7)Li5Ni octahedra, edges with two equivalent F(4)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are seven inequivalent F sites. In the first F site, F(1) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(3), and one Ni(1) atom to form FLi5Ni octahedra that share  a cornercorner with one F(5)Li4Ni2 octahedra,  a cornercorner with one F(7)Li5Ni octahedra, corners with two equivalent F(2)Li6 octahedra, corners with two equivalent F(4)Li6 octahedra,  an edgeedge with one F(2)Li6 octahedra,  an edgeedge with one F(4)Li6 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(7)Li5Ni octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second F site, F(2) is bonded to one Li(5), one Li(6), two equivalent Li(1), and two equivalent Li(2) atoms to form FLi6 octahedra that share  a cornercorner with one F(3)Li6 octahedra,  a cornercorner with one F(6)Li6 octahedra, corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent F(1)Li5Ni octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra,  an edgeedge with one F(1)Li5Ni octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(3)Li6 octahedra, edges with two equivalent F(4)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third F site, F(3) is bonded to one Li(2), one Li(6), two equivalent Li(4), and two equivalent Li(5) atoms to form FLi6 octahedra that share  a cornercorner with one F(5)Li4Ni2 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with two equivalent F(7)Li5Ni octahedra, corners with two equivalent F(4)Li6 octahedra,  an edgeedge with one F(7)Li5Ni octahedra,  an edgeedge with one F(4)Li6 octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(3)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth F site, F(4) is bonded to one Li(1), one Li(7), two equivalent Li(3), and two equivalent Li(5) atoms to form FLi6 octahedra that share  a cornercorner with one O(1)Li4Ni2 octahedra,  a cornercorner with one F(6)Li6 octahedra, corners with two equivalent F(1)Li5Ni octahedra, corners with two equivalent F(3)Li6 octahedra,  an edgeedge with one F(1)Li5Ni octahedra,  an edgeedge with one F(3)Li6 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(7)Li5Ni octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(4)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fifth F site, F(5) is bonded to one Li(2), one Li(4), two equivalent Li(6), and two equivalent Ni(1) atoms to form FLi4Ni2 octahedra that share  a cornercorner with one F(1)Li5Ni octahedra,  a cornercorner with one F(3)Li6 octahedra, corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent F(6)Li6 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra,  an edgeedge with one F(6)Li6 octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(7)Li5Ni octahedra, edges with two equivalent F(2)Li6 octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth F site, F(6) is bonded to one Li(1), one Li(5), two equivalent Li(6), and two equivalent Li(7) atoms to form FLi6 octahedra that share  a cornercorner with one F(2)Li6 octahedra,  a cornercorner with one F(4)Li6 octahedra, corners with two equivalent F(5)Li4Ni2 octahedra, corners with two equivalent F(7)Li5Ni octahedra,  an edgeedge with one F(5)Li4Ni2 octahedra,  an edgeedge with one F(7)Li5Ni octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(3)Li6 octahedra, edges with two equivalent F(4)Li6 octahedra, and edges with two equivalent F(6)Li6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the seventh F site, F(7) is bonded to one Li(3), two equivalent Li(4), two equivalent Li(7), and one Ni(1) atom to form FLi5Ni octahedra that share  a cornercorner with one O(1)Li4Ni2 octahedra,  a cornercorner with one F(1)Li5Ni octahedra, corners with two equivalent F(3)Li6 octahedra, corners with two equivalent F(6)Li6 octahedra,  an edgeedge with one F(3)Li6 octahedra,  an edgeedge with one F(6)Li6 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent F(5)Li4Ni2 octahedra, edges with two equivalent F(1)Li5Ni octahedra, edges with two equivalent F(7)Li5Ni octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7NiOF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.932
_cell_length_b   6.511
_cell_length_c   7.758
_cell_angle_alpha   85.340
_cell_angle_beta   79.130
_cell_angle_gamma   76.990
_symmetry_Int_Tables_number   1
_cell_volume   141.604
_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  0.192  0.686  0.929  1.0
  F  F1  1  0.310  0.811  0.567  1.0
  F  F2  1  0.938  0.436  0.688  1.0
  F  F3  1  0.067  0.552  0.316  1.0
  F  F4  1  0.562  0.063  0.813  1.0
  F  F5  1  0.681  0.192  0.445  1.0
  F  F6  1  0.813  0.321  0.055  1.0
  Li  Li7  1  0.879  0.879  0.362  1.0
  Li  Li8  1  0.758  0.744  0.739  1.0
  Li  Li9  1  0.614  0.630  0.141  1.0
  Li  Li10  1  0.372  0.385  0.871  1.0
  Li  Li11  1  0.500  0.502  0.497  1.0
  Li  Li12  1  0.130  0.126  0.614  1.0
  Li  Li13  1  0.251  0.239  0.259  1.0
  Ni  Ni14  1  0.994  0.995  0.019  1.0
  O  O15  1  0.438  0.939  0.184  1.0
[/CIF]
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