Li7Ni(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one F(1), and one F(3) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(8)O2F2 trigonal pyramids,  an edgeedge with one Li(5)O3F tetrahedra, and  an edgeedge with one Li(4)O2F2 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one F(4) atom to form LiO3F tetrahedra that share corners with two equivalent Li(7)O4F square pyramids, corners with two equivalent Li(10)O3F tetrahedra,  a cornercorner with one Li(8)O2F2 trigonal pyramid,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(6), and one F(3) atom. In the fourth Li site, Li(4) is bonded to one O(3), one O(7), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(8)O2F2 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(1), one O(6), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O2F2 trigonal pyramid, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(2), one O(5), one O(7), and one F(2) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Li(7)O4F square pyramids,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(4)O2F2 trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(8)O2F2 trigonal pyramid. In the seventh Li site, Li(7) is bonded to one O(2), one O(4), one O(5), one O(8), and one F(4) atom to form distorted LiO4F square pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with three equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(8)O2F2 trigonal pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the eighth Li site, Li(8) is bonded to one O(3), one O(5), one F(2), and one F(3) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(2)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(1)O2F2 trigonal pyramids,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(4)O2F2 trigonal pyramid. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(8), and one F(4) atom. In the tenth Li site, Li(10) is bonded to one O(3), one O(5), one O(7), and one F(4) atom to form LiO3F tetrahedra that share corners with two equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid, corners with two equivalent Li(8)O2F2 trigonal pyramids,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(4)O2F2 trigonal pyramid. In the eleventh Li site, Li(11) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Li(7)O4F square pyramids,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(5)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one O(1), one O(6), one F(1), one F(2), and one F(3) atom. In the thirteenth Li site, Li(13) is bonded to one O(2), one O(7), one O(8), and one F(4) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O2F2 trigonal pyramid,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the fourteenth Li site, Li(14) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(8), and one F(4) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(3), one Li(5), one Li(9), and one Ni(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), one Li(7), and one Ni(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(4), one Li(8), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(11), one Li(2), one Li(3), one Li(7), one Li(9), and one Ni(2) atom to form distorted OLi5Ni pentagonal pyramids that share  a cornercorner with one F(3)Li4 trigonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), one Li(7), one Li(8), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), and one Ni(2) atom. In the seventh O site, O(7) is bonded to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), and one Ni(1) atom to form distorted OLi5Ni pentagonal pyramids that share  a cornercorner with one F(1)Li4 trigonal pyramid and corners with two equivalent F(2)Li4 trigonal pyramids. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(5), one Li(7), one Li(9), and one Ni(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(12), one Li(4), and one Li(5) atom to form FLi4 trigonal pyramids that share  a cornercorner with one O(7)Li5Ni pentagonal pyramid, corners with two equivalent F(2)Li4 trigonal pyramids, and  an edgeedge with one F(3)Li4 trigonal pyramid. In the second F site, F(2) is bonded to one Li(12), one Li(4), one Li(6), and one Li(8) atom to form distorted FLi4 trigonal pyramids that share corners with two equivalent O(7)Li5Ni pentagonal pyramids, corners with two equivalent F(1)Li4 trigonal pyramids, and  an edgeedge with one F(3)Li4 trigonal pyramid. In the third F site, F(3) is bonded to one Li(1), one Li(12), one Li(3), and one Li(8) atom to form distorted FLi4 trigonal pyramids that share  a cornercorner with one O(4)Li5Ni pentagonal pyramid,  an edgeedge with one F(1)Li4 trigonal pyramid, and  an edgeedge with one F(2)Li4 trigonal pyramid. In the fourth F site, F(4) is bonded in a 6-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(7), and one Li(9) atom.
Li7Ni(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one F(1), and one F(3) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(8)O2F2 trigonal pyramids,  an edgeedge with one Li(5)O3F tetrahedra, and  an edgeedge with one Li(4)O2F2 trigonal pyramid. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(3) bond length is 2.05 Å. The Li(1)-F(1) bond length is 2.02 Å. The Li(1)-F(3) bond length is 1.91 Å. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one F(4) atom to form LiO3F tetrahedra that share corners with two equivalent Li(7)O4F square pyramids, corners with two equivalent Li(10)O3F tetrahedra,  a cornercorner with one Li(8)O2F2 trigonal pyramid,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The Li(2)-O(2) bond length is 1.94 Å. The Li(2)-O(4) bond length is 1.95 Å. The Li(2)-O(5) bond length is 1.88 Å. The Li(2)-F(4) bond length is 1.96 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(6), and one F(3) atom. The Li(3)-O(1) bond length is 1.87 Å. The Li(3)-O(4) bond length is 2.00 Å. The Li(3)-O(6) bond length is 2.18 Å. The Li(3)-F(3) bond length is 1.85 Å. In the fourth Li site, Li(4) is bonded to one O(3), one O(7), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(8)O2F2 trigonal pyramid. The Li(4)-O(3) bond length is 2.28 Å. The Li(4)-O(7) bond length is 1.99 Å. The Li(4)-F(1) bond length is 1.82 Å. The Li(4)-F(2) bond length is 1.86 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(6), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O2F2 trigonal pyramid, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The Li(5)-O(1) bond length is 2.14 Å. The Li(5)-O(6) bond length is 1.92 Å. The Li(5)-O(8) bond length is 2.07 Å. The Li(5)-F(1) bond length is 1.88 Å. In the sixth Li site, Li(6) is bonded to one O(2), one O(5), one O(7), and one F(2) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Li(7)O4F square pyramids,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(4)O2F2 trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(8)O2F2 trigonal pyramid. The Li(6)-O(2) bond length is 2.00 Å. The Li(6)-O(5) bond length is 2.06 Å. The Li(6)-O(7) bond length is 1.96 Å. The Li(6)-F(2) bond length is 1.88 Å. In the seventh Li site, Li(7) is bonded to one O(2), one O(4), one O(5), one O(8), and one F(4) atom to form distorted LiO4F square pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with three equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(8)O2F2 trigonal pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The Li(7)-O(2) bond length is 2.28 Å. The Li(7)-O(4) bond length is 2.01 Å. The Li(7)-O(5) bond length is 2.38 Å. The Li(7)-O(8) bond length is 2.01 Å. The Li(7)-F(4) bond length is 2.06 Å. In the eighth Li site, Li(8) is bonded to one O(3), one O(5), one F(2), and one F(3) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(2)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(1)O2F2 trigonal pyramids,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(4)O2F2 trigonal pyramid. The Li(8)-O(3) bond length is 1.89 Å. The Li(8)-O(5) bond length is 2.02 Å. The Li(8)-F(2) bond length is 2.05 Å. The Li(8)-F(3) bond length is 1.85 Å. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(8), and one F(4) atom. The Li(9)-O(1) bond length is 1.88 Å. The Li(9)-O(4) bond length is 1.92 Å. The Li(9)-O(8) bond length is 2.28 Å. The Li(9)-F(4) bond length is 2.12 Å. In the tenth Li site, Li(10) is bonded to one O(3), one O(5), one O(7), and one F(4) atom to form LiO3F tetrahedra that share corners with two equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid, corners with two equivalent Li(8)O2F2 trigonal pyramids,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(4)O2F2 trigonal pyramid. The Li(10)-O(3) bond length is 1.86 Å. The Li(10)-O(5) bond length is 1.95 Å. The Li(10)-O(7) bond length is 1.89 Å. The Li(10)-F(4) bond length is 1.85 Å. In the eleventh Li site, Li(11) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Li(7)O4F square pyramids,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(5)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The Li(11)-O(2) bond length is 2.06 Å. The Li(11)-O(4) bond length is 1.95 Å. The Li(11)-O(6) bond length is 1.87 Å. The Li(11)-O(8) bond length is 1.94 Å. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one O(1), one O(6), one F(1), one F(2), and one F(3) atom. The Li(12)-O(1) bond length is 2.40 Å. The Li(12)-O(6) bond length is 1.95 Å. The Li(12)-F(1) bond length is 1.94 Å. The Li(12)-F(2) bond length is 1.87 Å. The Li(12)-F(3) bond length is 2.32 Å. In the thirteenth Li site, Li(13) is bonded to one O(2), one O(7), one O(8), and one F(4) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O2F2 trigonal pyramid,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The Li(13)-O(2) bond length is 1.92 Å. The Li(13)-O(7) bond length is 1.95 Å. The Li(13)-O(8) bond length is 1.84 Å. The Li(13)-F(4) bond length is 1.87 Å. In the fourteenth Li site, Li(14) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(8), and one F(4) atom. The Li(14)-O(2) bond length is 2.02 Å. The Li(14)-O(3) bond length is 2.39 Å. The Li(14)-O(5) bond length is 2.15 Å. The Li(14)-O(7) bond length is 2.00 Å. The Li(14)-O(8) bond length is 2.52 Å. The Li(14)-F(4) bond length is 2.35 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. The Ni(1)-O(2) bond length is 1.97 Å. The Ni(1)-O(3) bond length is 1.84 Å. The Ni(1)-O(5) bond length is 1.89 Å. The Ni(1)-O(7) bond length is 1.87 Å. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(6), and one O(8) atom. The Ni(2)-O(1) bond length is 1.91 Å. The Ni(2)-O(4) bond length is 1.85 Å. The Ni(2)-O(6) bond length is 1.83 Å. The Ni(2)-O(8) bond length is 1.91 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(3), one Li(5), one Li(9), and one Ni(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), one Li(7), and one Ni(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(4), one Li(8), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(11), one Li(2), one Li(3), one Li(7), one Li(9), and one Ni(2) atom to form distorted OLi5Ni pentagonal pyramids that share  a cornercorner with one F(3)Li4 trigonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), one Li(7), one Li(8), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), and one Ni(2) atom. In the seventh O site, O(7) is bonded to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), and one Ni(1) atom to form distorted OLi5Ni pentagonal pyramids that share  a cornercorner with one F(1)Li4 trigonal pyramid and corners with two equivalent F(2)Li4 trigonal pyramids. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(5), one Li(7), one Li(9), and one Ni(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(12), one Li(4), and one Li(5) atom to form FLi4 trigonal pyramids that share  a cornercorner with one O(7)Li5Ni pentagonal pyramid, corners with two equivalent F(2)Li4 trigonal pyramids, and  an edgeedge with one F(3)Li4 trigonal pyramid. In the second F site, F(2) is bonded to one Li(12), one Li(4), one Li(6), and one Li(8) atom to form distorted FLi4 trigonal pyramids that share corners with two equivalent O(7)Li5Ni pentagonal pyramids, corners with two equivalent F(1)Li4 trigonal pyramids, and  an edgeedge with one F(3)Li4 trigonal pyramid. In the third F site, F(3) is bonded to one Li(1), one Li(12), one Li(3), and one Li(8) atom to form distorted FLi4 trigonal pyramids that share  a cornercorner with one O(4)Li5Ni pentagonal pyramid,  an edgeedge with one F(1)Li4 trigonal pyramid, and  an edgeedge with one F(2)Li4 trigonal pyramid. In the fourth F site, F(4) is bonded in a 6-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(7), and one Li(9) atom.