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°.
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°. The Li(1)-O(1) bond length is 2.19 Å. The Li(1)-O(2) bond length is 2.06 Å. The Li(1)-O(7) bond length is 2.06 Å. The Li(1)-O(8) bond length is 1.99 Å. The Li(1)-F(3) bond length is 2.17 Å. The Li(1)-F(4) bond length is 2.09 Å. 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°. The Li(2)-O(1) bond length is 2.14 Å. The Li(2)-O(2) bond length is 2.27 Å. The Li(2)-O(3) bond length is 2.11 Å. The Li(2)-O(8) bond length is 2.26 Å. The Li(2)-F(1) bond length is 1.96 Å. The Li(2)-F(4) bond length is 1.95 Å. 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°. The Li(3)-O(1) bond length is 2.13 Å. The Li(3)-O(2) bond length is 1.96 Å. The Li(3)-O(3) bond length is 2.07 Å. The Li(3)-O(4) bond length is 2.25 Å. The Li(3)-F(1) bond length is 2.12 Å. The Li(3)-F(2) bond length is 1.97 Å. 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°. The Li(4)-O(3) bond length is 2.15 Å. The Li(4)-O(4) bond length is 2.01 Å. The Li(4)-O(5) bond length is 2.02 Å. The Li(4)-O(6) bond length is 2.06 Å. The Li(4)-F(1) bond length is 2.06 Å. The Li(4)-F(2) bond length is 2.11 Å. 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°. The Li(5)-O(3) bond length is 2.06 Å. The Li(5)-O(4) bond length is 2.00 Å. The Li(5)-O(5) bond length is 2.07 Å. The Li(5)-O(6) bond length is 2.18 Å. The Li(5)-F(1) bond length is 2.16 Å. The Li(5)-F(2) bond length is 2.09 Å. 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°. The Li(6)-O(4) bond length is 2.25 Å. The Li(6)-O(5) bond length is 2.23 Å. The Li(6)-O(6) bond length is 2.17 Å. The Li(6)-O(7) bond length is 2.12 Å. The Li(6)-F(2) bond length is 1.96 Å. The Li(6)-F(3) bond length is 1.96 Å. 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°. The Li(7)-O(5) bond length is 1.96 Å. The Li(7)-O(6) bond length is 2.11 Å. The Li(7)-O(7) bond length is 2.06 Å. The Li(7)-O(8) bond length is 2.28 Å. The Li(7)-F(3) bond length is 2.14 Å. The Li(7)-F(4) bond length is 1.96 Å. 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°. The Li(8)-O(1) bond length is 2.06 Å. The Li(8)-O(2) bond length is 2.02 Å. The Li(8)-O(7) bond length is 2.15 Å. The Li(8)-O(8) bond length is 2.01 Å. The Li(8)-F(3) bond length is 2.06 Å. The Li(8)-F(4) bond length is 2.12 Å. 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°. The Ni(1)-O(1) bond length is 1.90 Å. The Ni(1)-O(2) bond length is 1.88 Å. The Ni(1)-O(3) bond length is 1.88 Å. The Ni(1)-O(8) bond length is 1.90 Å. The Ni(1)-F(1) bond length is 2.20 Å. The Ni(1)-F(4) bond length is 2.15 Å. 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°. The Ni(2)-O(1) bond length is 1.88 Å. The Ni(2)-O(2) bond length is 1.99 Å. The Ni(2)-O(3) bond length is 1.91 Å. The Ni(2)-O(4) bond length is 1.89 Å. The Ni(2)-F(1) bond length is 2.09 Å. The Ni(2)-F(2) bond length is 2.23 Å. 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°. The Ni(3)-O(4) bond length is 1.90 Å. The Ni(3)-O(5) bond length is 1.88 Å. The Ni(3)-O(6) bond length is 1.90 Å. The Ni(3)-O(7) bond length is 1.88 Å. The Ni(3)-F(2) bond length is 2.15 Å. The Ni(3)-F(3) bond length is 2.21 Å. 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°. The Ni(4)-O(5) bond length is 2.00 Å. The Ni(4)-O(6) bond length is 1.88 Å. The Ni(4)-O(7) bond length is 1.91 Å. The Ni(4)-O(8) bond length is 1.89 Å. The Ni(4)-F(3) bond length is 2.08 Å. The Ni(4)-F(4) bond length is 2.24 Å. 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°.