Li4Ni7(OF7)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(4), and two equivalent F(5) atoms to form LiF4 tetrahedra that share corners with two equivalent Ni(2)F6 octahedra, corners with two equivalent Ni(4)O2F4 octahedra, corners with three equivalent Ni(1)F6 octahedra, and corners with four equivalent Ni(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Li site, Li(2) is bonded to one O(1), one F(3), and two equivalent F(1) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Ni(4)O2F4 octahedra, corners with two equivalent Ni(3)O2F4 octahedra, corners with three equivalent Ni(1)F6 octahedra, and corners with four equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(5) atoms to form NiF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Ni(4)O2F4 octahedra, edges with two equivalent Ni(2)F6 octahedra, and edges with two equivalent Ni(3)O2F4 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form NiF6 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)OF3 tetrahedra, edges with two equivalent Ni(1)F6 octahedra, and edges with two equivalent Ni(2)F6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(5) atoms to form NiO2F4 octahedra that share corners with two equivalent Li(2)OF3 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent Ni(1)F6 octahedra, edges with two equivalent Ni(3)O2F4 octahedra, and edges with two equivalent Ni(4)O2F4 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1) and four equivalent F(5) atoms to form NiO2F4 octahedra that share corners with two equivalent Li(2)OF3 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent Ni(1)F6 octahedra, and edges with four equivalent Ni(3)O2F4 octahedra. O(1) is bonded to one Li(2), one Ni(4), and two equivalent Ni(3) atoms to form corner-sharing OLiNi3 tetrahedra. There are five inequivalent F sites. In the first F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(3), and one Ni(4) atom. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one Ni(2) atom. In the third F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Ni(3) atoms. In the fourth F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), and two equivalent Ni(2) atoms. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Ni(2) atoms.
Li4Ni7(OF7)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(4), and two equivalent F(5) atoms to form LiF4 tetrahedra that share corners with two equivalent Ni(2)F6 octahedra, corners with two equivalent Ni(4)O2F4 octahedra, corners with three equivalent Ni(1)F6 octahedra, and corners with four equivalent Ni(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. The Li(1)-F(2) bond length is 1.91 Å. The Li(1)-F(4) bond length is 1.88 Å. Both Li(1)-F(5) bond lengths are 1.94 Å. In the second Li site, Li(2) is bonded to one O(1), one F(3), and two equivalent F(1) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Ni(4)O2F4 octahedra, corners with two equivalent Ni(3)O2F4 octahedra, corners with three equivalent Ni(1)F6 octahedra, and corners with four equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. The Li(2)-O(1) bond length is 1.96 Å. The Li(2)-F(3) bond length is 2.07 Å. Both Li(2)-F(1) bond lengths are 1.96 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(5) atoms to form NiF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Ni(4)O2F4 octahedra, edges with two equivalent Ni(2)F6 octahedra, and edges with two equivalent Ni(3)O2F4 octahedra. The Ni(1)-F(2) bond length is 2.03 Å. The Ni(1)-F(3) bond length is 2.07 Å. Both Ni(1)-F(1) bond lengths are 1.98 Å. Both Ni(1)-F(5) bond lengths are 2.07 Å. In the second Ni site, Ni(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form NiF6 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)OF3 tetrahedra, edges with two equivalent Ni(1)F6 octahedra, and edges with two equivalent Ni(2)F6 octahedra. Both Ni(2)-F(1) bond lengths are 2.02 Å. Both Ni(2)-F(3) bond lengths are 2.09 Å. Both Ni(2)-F(4) bond lengths are 2.00 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(5) atoms to form NiO2F4 octahedra that share corners with two equivalent Li(2)OF3 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent Ni(1)F6 octahedra, edges with two equivalent Ni(3)O2F4 octahedra, and edges with two equivalent Ni(4)O2F4 octahedra. Both Ni(3)-O(1) bond lengths are 1.96 Å. Both Ni(3)-F(2) bond lengths are 2.17 Å. Both Ni(3)-F(5) bond lengths are 2.14 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1) and four equivalent F(5) atoms to form NiO2F4 octahedra that share corners with two equivalent Li(2)OF3 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent Ni(1)F6 octahedra, and edges with four equivalent Ni(3)O2F4 octahedra. Both Ni(4)-O(1) bond lengths are 1.96 Å. All Ni(4)-F(5) bond lengths are 2.14 Å. O(1) is bonded to one Li(2), one Ni(4), and two equivalent Ni(3) atoms to form corner-sharing OLiNi3 tetrahedra. There are five inequivalent F sites. In the first F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(3), and one Ni(4) atom. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one Ni(2) atom. In the third F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Ni(3) atoms. In the fourth F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), and two equivalent Ni(2) atoms. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Ni(2) atoms.