Li4Ni8O9F7 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(9), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(7)O2F4 octahedra,  a cornercorner with one Ni(5)O4F2 octahedra,  a cornercorner with one Ni(8)O4F2 octahedra, corners with two equivalent Ni(2)O3F3 octahedra, corners with two equivalent Ni(6)O4F2 octahedra, corners with two equivalent Ni(1)O5F octahedra, and corners with three equivalent Ni(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-66°. In the second Li site, Li(2) is bonded to one O(4), one O(5), one F(3), and one F(6) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(7)O2F4 octahedra,  a cornercorner with one Ni(5)O4F2 octahedra,  a cornercorner with one Ni(8)O4F2 octahedra, corners with two equivalent Ni(2)O3F3 octahedra, corners with two equivalent Ni(6)O4F2 octahedra, corners with two equivalent Ni(1)O5F octahedra, and corners with three equivalent Ni(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. In the third Li site, Li(3) is bonded to one O(6), one O(7), one F(1), and one F(4) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(2)O3F3 octahedra,  a cornercorner with one Ni(6)O4F2 octahedra,  a cornercorner with one Ni(1)O5F octahedra, corners with two equivalent Ni(7)O2F4 octahedra, corners with two equivalent Ni(5)O4F2 octahedra, corners with two equivalent Ni(8)O4F2 octahedra, and corners with three equivalent Ni(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), one F(5), and one F(7) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(2)O3F3 octahedra,  a cornercorner with one Ni(6)O4F2 octahedra,  a cornercorner with one Ni(1)O5F octahedra, corners with two equivalent Ni(7)O2F4 octahedra, corners with two equivalent Ni(5)O4F2 octahedra, corners with two equivalent Ni(8)O4F2 octahedra, and corners with three equivalent Ni(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(3) atom to form NiO5F octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(2)O3F3 octahedra, and edges with two equivalent Ni(6)O4F2 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(6) atom to form NiO3F3 octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(6)O4F2 octahedra, and edges with two equivalent Ni(1)O5F octahedra. In the third Ni site, Ni(3) is bonded to one O(5), one O(6), one F(1), one F(3), one F(4), and one F(6) atom to form NiO2F4 octahedra that share corners with three equivalent Li(2)O2F2 tetrahedra, corners with three equivalent Li(3)O2F2 tetrahedra,  an edgeedge with one Ni(7)O2F4 octahedra,  an edgeedge with one Ni(2)O3F3 octahedra,  an edgeedge with one Ni(5)O4F2 octahedra,  an edgeedge with one Ni(6)O4F2 octahedra,  an edgeedge with one Ni(8)O4F2 octahedra, and  an edgeedge with one Ni(1)O5F octahedra. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(3), one O(8), one F(2), one F(5), and one F(7) atom to form NiO3F3 octahedra that share corners with three equivalent Li(4)O2F2 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra,  an edgeedge with one Ni(7)O2F4 octahedra,  an edgeedge with one Ni(2)O3F3 octahedra,  an edgeedge with one Ni(5)O4F2 octahedra,  an edgeedge with one Ni(6)O4F2 octahedra,  an edgeedge with one Ni(8)O4F2 octahedra, and  an edgeedge with one Ni(1)O5F octahedra. In the fifth Ni site, Ni(5) is bonded to one O(4), one O(6), one O(8), one O(9), one F(1), and one F(5) atom to form NiO4F2 octahedra that share  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(1)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(7)O2F4 octahedra, and edges with two equivalent Ni(8)O4F2 octahedra. In the sixth Ni site, Ni(6) is bonded to one O(2), one O(3), one O(5), one O(7), one F(2), and one F(6) atom to form NiO4F2 octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(2)O3F3 octahedra, and edges with two equivalent Ni(1)O5F octahedra. In the seventh Ni site, Ni(7) is bonded to one O(4), one O(9), one F(1), one F(4), one F(5), and one F(7) atom to form NiO2F4 octahedra that share  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(1)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(5)O4F2 octahedra, and edges with two equivalent Ni(8)O4F2 octahedra. In the eighth Ni site, Ni(8) is bonded to one O(4), one O(6), one O(8), one O(9), one F(4), and one F(7) atom to form NiO4F2 octahedra that share  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(1)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(7)O2F4 octahedra, and edges with two equivalent Ni(5)O4F2 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(1), one Ni(2), and one Ni(4) atom to form a mixture of distorted corner and edge-sharing OLiNi3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(4), one Ni(1), one Ni(2), and one Ni(6) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Ni(1), one Ni(4), and one Ni(6) atom to form a mixture of distorted corner and edge-sharing OLiNi3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Ni(1), one Ni(3), and one Ni(6) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the sixth O site, O(6) is bonded to one Li(3), one Ni(3), one Ni(5), and one Ni(8) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Ni(1), one Ni(2), and one Ni(6) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Ni(4), one Ni(5), and one Ni(8) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(3), one Ni(5), and one Ni(7) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), one Ni(4), and one Ni(6) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(3), one Ni(7), and one Ni(8) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), one Ni(5), and one Ni(7) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), one Ni(3), and one Ni(6) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), one Ni(7), and one Ni(8) atom.
Li4Ni8O9F7 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(9), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Ni(7)O2F4 octahedra,  a cornercorner with one Ni(5)O4F2 octahedra,  a cornercorner with one Ni(8)O4F2 octahedra, corners with two equivalent Ni(2)O3F3 octahedra, corners with two equivalent Ni(6)O4F2 octahedra, corners with two equivalent Ni(1)O5F octahedra, and corners with three equivalent Ni(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-66°. The Li(1)-O(1) bond length is 1.93 Å. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(9) bond length is 2.07 Å. The Li(1)-F(2) bond length is 1.89 Å. In the second Li site, Li(2) is bonded to one O(4), one O(5), one F(3), and one F(6) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(7)O2F4 octahedra,  a cornercorner with one Ni(5)O4F2 octahedra,  a cornercorner with one Ni(8)O4F2 octahedra, corners with two equivalent Ni(2)O3F3 octahedra, corners with two equivalent Ni(6)O4F2 octahedra, corners with two equivalent Ni(1)O5F octahedra, and corners with three equivalent Ni(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. The Li(2)-O(4) bond length is 2.02 Å. The Li(2)-O(5) bond length is 2.01 Å. The Li(2)-F(3) bond length is 1.91 Å. The Li(2)-F(6) bond length is 1.89 Å. In the third Li site, Li(3) is bonded to one O(6), one O(7), one F(1), and one F(4) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(2)O3F3 octahedra,  a cornercorner with one Ni(6)O4F2 octahedra,  a cornercorner with one Ni(1)O5F octahedra, corners with two equivalent Ni(7)O2F4 octahedra, corners with two equivalent Ni(5)O4F2 octahedra, corners with two equivalent Ni(8)O4F2 octahedra, and corners with three equivalent Ni(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. The Li(3)-O(6) bond length is 1.97 Å. The Li(3)-O(7) bond length is 2.05 Å. The Li(3)-F(1) bond length is 1.89 Å. The Li(3)-F(4) bond length is 1.89 Å. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), one F(5), and one F(7) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Ni(2)O3F3 octahedra,  a cornercorner with one Ni(6)O4F2 octahedra,  a cornercorner with one Ni(1)O5F octahedra, corners with two equivalent Ni(7)O2F4 octahedra, corners with two equivalent Ni(5)O4F2 octahedra, corners with two equivalent Ni(8)O4F2 octahedra, and corners with three equivalent Ni(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. The Li(4)-O(2) bond length is 2.03 Å. The Li(4)-O(8) bond length is 1.97 Å. The Li(4)-F(5) bond length is 1.89 Å. The Li(4)-F(7) bond length is 1.91 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(3) atom to form NiO5F octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(2)O3F3 octahedra, and edges with two equivalent Ni(6)O4F2 octahedra. The Ni(1)-O(1) bond length is 2.05 Å. The Ni(1)-O(2) bond length is 1.93 Å. The Ni(1)-O(3) bond length is 1.88 Å. The Ni(1)-O(5) bond length is 1.88 Å. The Ni(1)-O(7) bond length is 1.93 Å. The Ni(1)-F(3) bond length is 2.30 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(6) atom to form NiO3F3 octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(6)O4F2 octahedra, and edges with two equivalent Ni(1)O5F octahedra. The Ni(2)-O(1) bond length is 1.85 Å. The Ni(2)-O(2) bond length is 1.93 Å. The Ni(2)-O(7) bond length is 1.91 Å. The Ni(2)-F(2) bond length is 2.08 Å. The Ni(2)-F(3) bond length is 1.99 Å. The Ni(2)-F(6) bond length is 2.09 Å. In the third Ni site, Ni(3) is bonded to one O(5), one O(6), one F(1), one F(3), one F(4), and one F(6) atom to form NiO2F4 octahedra that share corners with three equivalent Li(2)O2F2 tetrahedra, corners with three equivalent Li(3)O2F2 tetrahedra,  an edgeedge with one Ni(7)O2F4 octahedra,  an edgeedge with one Ni(2)O3F3 octahedra,  an edgeedge with one Ni(5)O4F2 octahedra,  an edgeedge with one Ni(6)O4F2 octahedra,  an edgeedge with one Ni(8)O4F2 octahedra, and  an edgeedge with one Ni(1)O5F octahedra. The Ni(3)-O(5) bond length is 1.99 Å. The Ni(3)-O(6) bond length is 1.98 Å. The Ni(3)-F(1) bond length is 2.04 Å. The Ni(3)-F(3) bond length is 2.06 Å. The Ni(3)-F(4) bond length is 2.05 Å. The Ni(3)-F(6) bond length is 2.04 Å. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(3), one O(8), one F(2), one F(5), and one F(7) atom to form NiO3F3 octahedra that share corners with three equivalent Li(4)O2F2 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra,  an edgeedge with one Ni(7)O2F4 octahedra,  an edgeedge with one Ni(2)O3F3 octahedra,  an edgeedge with one Ni(5)O4F2 octahedra,  an edgeedge with one Ni(6)O4F2 octahedra,  an edgeedge with one Ni(8)O4F2 octahedra, and  an edgeedge with one Ni(1)O5F octahedra. The Ni(4)-O(1) bond length is 1.97 Å. The Ni(4)-O(3) bond length is 2.01 Å. The Ni(4)-O(8) bond length is 1.99 Å. The Ni(4)-F(2) bond length is 2.08 Å. The Ni(4)-F(5) bond length is 2.07 Å. The Ni(4)-F(7) bond length is 2.06 Å. In the fifth Ni site, Ni(5) is bonded to one O(4), one O(6), one O(8), one O(9), one F(1), and one F(5) atom to form NiO4F2 octahedra that share  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(1)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(7)O2F4 octahedra, and edges with two equivalent Ni(8)O4F2 octahedra. The Ni(5)-O(4) bond length is 1.89 Å. The Ni(5)-O(6) bond length is 1.89 Å. The Ni(5)-O(8) bond length is 1.89 Å. The Ni(5)-O(9) bond length is 1.89 Å. The Ni(5)-F(1) bond length is 2.24 Å. The Ni(5)-F(5) bond length is 2.22 Å. In the sixth Ni site, Ni(6) is bonded to one O(2), one O(3), one O(5), one O(7), one F(2), and one F(6) atom to form NiO4F2 octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(2)O3F3 octahedra, and edges with two equivalent Ni(1)O5F octahedra. The Ni(6)-O(2) bond length is 1.90 Å. The Ni(6)-O(3) bond length is 1.88 Å. The Ni(6)-O(5) bond length is 1.89 Å. The Ni(6)-O(7) bond length is 1.90 Å. The Ni(6)-F(2) bond length is 2.16 Å. The Ni(6)-F(6) bond length is 2.21 Å. In the seventh Ni site, Ni(7) is bonded to one O(4), one O(9), one F(1), one F(4), one F(5), and one F(7) atom to form NiO2F4 octahedra that share  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(1)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(5)O4F2 octahedra, and edges with two equivalent Ni(8)O4F2 octahedra. The Ni(7)-O(4) bond length is 1.99 Å. The Ni(7)-O(9) bond length is 1.99 Å. The Ni(7)-F(1) bond length is 2.06 Å. The Ni(7)-F(4) bond length is 2.05 Å. The Ni(7)-F(5) bond length is 2.04 Å. The Ni(7)-F(7) bond length is 2.04 Å. In the eighth Ni site, Ni(8) is bonded to one O(4), one O(6), one O(8), one O(9), one F(4), and one F(7) atom to form NiO4F2 octahedra that share  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(1)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  an edgeedge with one Ni(3)O2F4 octahedra,  an edgeedge with one Ni(4)O3F3 octahedra, edges with two equivalent Ni(7)O2F4 octahedra, and edges with two equivalent Ni(5)O4F2 octahedra. The Ni(8)-O(4) bond length is 1.90 Å. The Ni(8)-O(6) bond length is 1.89 Å. The Ni(8)-O(8) bond length is 1.89 Å. The Ni(8)-O(9) bond length is 1.90 Å. The Ni(8)-F(4) bond length is 2.23 Å. The Ni(8)-F(7) bond length is 2.20 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(1), one Ni(2), and one Ni(4) atom to form a mixture of distorted corner and edge-sharing OLiNi3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(4), one Ni(1), one Ni(2), and one Ni(6) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Ni(1), one Ni(4), and one Ni(6) atom to form a mixture of distorted corner and edge-sharing OLiNi3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Ni(1), one Ni(3), and one Ni(6) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the sixth O site, O(6) is bonded to one Li(3), one Ni(3), one Ni(5), and one Ni(8) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Ni(1), one Ni(2), and one Ni(6) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Ni(4), one Ni(5), and one Ni(8) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing OLiNi3 tetrahedra. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(3), one Ni(5), and one Ni(7) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), one Ni(4), and one Ni(6) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(3), one Ni(7), and one Ni(8) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), one Ni(5), and one Ni(7) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), one Ni(3), and one Ni(6) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), one Ni(7), and one Ni(8) atom.