Li5NiOF5 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are eighteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(15), and two equivalent F(13) atoms to form corner-sharing LiF4 tetrahedra. In the second Li site, Li(2) is bonded to one F(16), one F(2), and two equivalent F(14) atoms to form corner-sharing LiF4 tetrahedra. In the third Li site, Li(3) is bonded to one F(13), one F(3), and two equivalent F(15) atoms to form corner-sharing LiF4 tetrahedra. In the fourth Li site, Li(4) is bonded to one F(14), one F(4), and two equivalent F(16) atoms to form corner-sharing LiF4 tetrahedra. In the fifth Li site, Li(5) is bonded to one F(19), one F(5), and two equivalent F(17) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(11)F4 tetrahedra,  a cornercorner with one Li(19)OF3 tetrahedra, corners with two equivalent Li(5)F4 tetrahedra, corners with two equivalent Li(9)F4 tetrahedra, corners with two equivalent Li(17)OF3 tetrahedra, and corners with four equivalent Li(7)F4 tetrahedra. In the sixth Li site, Li(6) is bonded to one F(20), one F(6), and two equivalent F(18) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(12)F4 tetrahedra; corners with two equivalent Li(10)F4 tetrahedra; corners with two equivalent Li(6)F4 tetrahedra; corners with three equivalent Li(18,20)OF3 tetrahedra; and corners with four equivalent Li(8)F4 tetrahedra. In the seventh Li site, Li(7) is bonded to one F(17), one F(7), and two equivalent F(19) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(9)F4 tetrahedra,  a cornercorner with one Li(17)OF3 tetrahedra, corners with two equivalent Li(11)F4 tetrahedra, corners with two equivalent Li(7)F4 tetrahedra, corners with two equivalent Li(19)OF3 tetrahedra, and corners with four equivalent Li(5)F4 tetrahedra. In the eighth Li site, Li(8) is bonded to one F(18), one F(8), and two equivalent F(20) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(10)F4 tetrahedra; corners with two equivalent Li(12)F4 tetrahedra; corners with two equivalent Li(8)F4 tetrahedra; corners with three equivalent Li(18,20)OF3 tetrahedra; and corners with four equivalent Li(6)F4 tetrahedra. In the ninth Li site, Li(9) is bonded to one F(17), one F(3), and two equivalent F(1) atoms to form corner-sharing LiF4 tetrahedra. In the tenth Li site, Li(10) is bonded to one F(18), one F(4), and two equivalent F(2) atoms to form corner-sharing LiF4 tetrahedra. In the eleventh Li site, Li(11) is bonded to one F(1), one F(19), and two equivalent F(3) atoms to form corner-sharing LiF4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one F(2), one F(20), and two equivalent F(4) atoms to form corner-sharing LiF4 tetrahedra. In the thirteenth Li site, Li(13,15) is bonded to one F(13) and three equivalent F(9,11) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(3)F4 tetrahedra; corners with two equivalent Li(1)F4 tetrahedra; corners with three equivalent Ni(1,4)O3F tetrahedra; and corners with six equivalent Li(13,15)F4 tetrahedra. In the fourteenth Li site, Li(14) is bonded to one F(12), one F(14), and two equivalent F(10) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Ni(2)O3F tetrahedra, corners with two equivalent Li(14)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Ni(3)O3F tetrahedra, and corners with four equivalent Li(16)F4 tetrahedra. In the fifteenth Li site, Li(16) is bonded to one F(10), one F(16), and two equivalent F(12) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Ni(3)O3F tetrahedra, corners with two equivalent Li(16)F4 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with two equivalent Ni(2)O3F tetrahedra, and corners with four equivalent Li(14)F4 tetrahedra. In the sixteenth Li site, Li(17) is bonded to one O(1), one F(7), and two equivalent F(5) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Li(7)F4 tetrahedra,  a cornercorner with one Ni(2)O3F tetrahedra, corners with two equivalent Li(5)F4 tetrahedra, corners with two equivalent Li(17)OF3 tetrahedra, corners with two equivalent Ni(3)O3F tetrahedra, and corners with four equivalent Li(19)OF3 tetrahedra. In the seventeenth Li site, Li(18,20) is bonded to one O(2,4); one F(8); and two equivalent F(6) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Li(8)F4 tetrahedra; corners with two equivalent Li(6)F4 tetrahedra; corners with three equivalent Ni(1,4)O3F tetrahedra; and corners with six equivalent Li(18,20)OF3 tetrahedra. In the eighteenth Li site, Li(19) is bonded to one O(3), one F(5), and two equivalent F(7) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Ni(3)O3F tetrahedra, corners with two equivalent Li(7)F4 tetrahedra, corners with two equivalent Li(19)OF3 tetrahedra, corners with two equivalent Ni(2)O3F tetrahedra, and corners with four equivalent Li(17)OF3 tetrahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1,4) is bonded to three equivalent O(2,4) and one F(9,11) atom to form NiO3F tetrahedra that share corners with three equivalent Li(13,15)F4 tetrahedra; corners with three equivalent Li(18,20)OF3 tetrahedra; and corners with six equivalent Ni(1,4)O3F tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), two equivalent O(3), and one F(12) atom to form NiO3F tetrahedra that share  a cornercorner with one Li(14)F4 tetrahedra,  a cornercorner with one Li(17)OF3 tetrahedra, corners with two equivalent Li(16)F4 tetrahedra, corners with two equivalent Li(19)OF3 tetrahedra, corners with two equivalent Ni(2)O3F tetrahedra, and corners with four equivalent Ni(3)O3F tetrahedra. In the third Ni site, Ni(3) is bonded to one O(3), two equivalent O(1), and one F(10) atom to form NiO3F tetrahedra that share  a cornercorner with one Li(16)F4 tetrahedra,  a cornercorner with one Li(19)OF3 tetrahedra, corners with two equivalent Li(14)F4 tetrahedra, corners with two equivalent Li(17)OF3 tetrahedra, corners with two equivalent Ni(3)O3F tetrahedra, and corners with four equivalent Ni(2)O3F tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(17), one Ni(2), and two equivalent Ni(3) atoms to form OLiNi3 tetrahedra that share  a cornercorner with one F(12)Li3Ni tetrahedra,  a cornercorner with one F(7)Li4 tetrahedra, corners with two equivalent O(1)LiNi3 tetrahedra, corners with two equivalent F(10)Li3Ni tetrahedra, corners with two equivalent F(5)Li4 tetrahedra, and corners with four equivalent O(3)LiNi3 tetrahedra. In the second O site, O(2,4) is bonded to one Li(18,20) and three equivalent Ni(1,4) atoms to form OLiNi3 tetrahedra that share  a cornercorner with one F(8)Li4 tetrahedra; corners with two equivalent F(6)Li4 tetrahedra; corners with three equivalent F(9,11)Li3Ni tetrahedra; and corners with six equivalent O(2,4)LiNi3 tetrahedra. In the third O site, O(3) is bonded to one Li(19), one Ni(3), and two equivalent Ni(2) atoms to form OLiNi3 tetrahedra that share  a cornercorner with one F(10)Li3Ni tetrahedra,  a cornercorner with one F(5)Li4 tetrahedra, corners with two equivalent O(3)LiNi3 tetrahedra, corners with two equivalent F(12)Li3Ni tetrahedra, corners with two equivalent F(7)Li4 tetrahedra, and corners with four equivalent O(1)LiNi3 tetrahedra. There are nineteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(11), and two equivalent Li(9) atoms to form corner-sharing FLi4 tetrahedra. In the second F site, F(2) is bonded to one Li(12), one Li(2), and two equivalent Li(10) atoms to form corner-sharing FLi4 tetrahedra. In the third F site, F(3) is bonded to one Li(3), one Li(9), and two equivalent Li(11) atoms to form corner-sharing FLi4 tetrahedra. In the fourth F site, F(4) is bonded to one Li(10), one Li(4), and two equivalent Li(12) atoms to form corner-sharing FLi4 tetrahedra. In the fifth F site, F(5) is bonded to one Li(19), one Li(5), and two equivalent Li(17) atoms to form FLi4 tetrahedra that share  a cornercorner with one O(3)LiNi3 tetrahedra,  a cornercorner with one F(19)Li4 tetrahedra, corners with two equivalent O(1)LiNi3 tetrahedra, corners with two equivalent F(17)Li4 tetrahedra, corners with two equivalent F(5)Li4 tetrahedra, and corners with four equivalent F(7)Li4 tetrahedra. In the sixth F site, F(6) is bonded to one Li(6) and three equivalent Li(18,20) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(20)Li4 tetrahedra; corners with two equivalent F(18)Li4 tetrahedra; corners with two equivalent F(6)Li4 tetrahedra; corners with three equivalent O(2,4)LiNi3 tetrahedra; and corners with four equivalent F(8)Li4 tetrahedra. In the seventh F site, F(7) is bonded to one Li(17), one Li(7), and two equivalent Li(19) atoms to form FLi4 tetrahedra that share  a cornercorner with one O(1)LiNi3 tetrahedra,  a cornercorner with one F(17)Li4 tetrahedra, corners with two equivalent O(3)LiNi3 tetrahedra, corners with two equivalent F(19)Li4 tetrahedra, corners with two equivalent F(7)Li4 tetrahedra, and corners with four equivalent F(5)Li4 tetrahedra. In the eighth F site, F(8) is bonded to one Li(8) and three equivalent Li(18,20) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(18)Li4 tetrahedra; corners with two equivalent F(20)Li4 tetrahedra; corners with two equivalent F(8)Li4 tetrahedra; corners with three equivalent O(2,4)LiNi3 tetrahedra; and corners with four equivalent F(6)Li4 tetrahedra. In the ninth F site, F(9,11) is bonded to three equivalent Li(13,15) and one Ni(1,4) atom to form FLi3Ni tetrahedra that share  a cornercorner with one F(15)Li4 tetrahedra; corners with two equivalent F(13)Li4 tetrahedra; corners with three equivalent O(2,4)LiNi3 tetrahedra; and corners with six equivalent F(9,11)Li3Ni tetrahedra. In the tenth F site, F(10) is bonded to one Li(16), two equivalent Li(14), and one Ni(3) atom to form FLi3Ni tetrahedra that share  a cornercorner with one O(3)LiNi3 tetrahedra,  a cornercorner with one F(16)Li4 tetrahedra, corners with two equivalent O(1)LiNi3 tetrahedra, corners with two equivalent F(10)Li3Ni tetrahedra, corners with two equivalent F(14)Li4 tetrahedra, and corners with four equivalent F(12)Li3Ni tetrahedra. In the eleventh F site, F(12) is bonded to one Li(14), two equivalent Li(16), and one Ni(2) atom to form FLi3Ni tetrahedra that share  a cornercorner with one O(1)LiNi3 tetrahedra,  a cornercorner with one F(14)Li4 tetrahedra, corners with two equivalent O(3)LiNi3 tetrahedra, corners with two equivalent F(12)Li3Ni tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, and corners with four equivalent F(10)Li3Ni tetrahedra. In the twelfth F site, F(13) is bonded to one Li(13,15); one Li(3); and two equivalent Li(1) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(3)Li4 tetrahedra; corners with two equivalent F(1)Li4 tetrahedra; corners with two equivalent F(13)Li4 tetrahedra; corners with three equivalent F(9,11)Li3Ni tetrahedra; and corners with four equivalent F(15)Li4 tetrahedra. In the thirteenth F site, F(14) is bonded to one Li(14), one Li(4), and two equivalent Li(2) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(12)Li3Ni tetrahedra,  a cornercorner with one F(4)Li4 tetrahedra, corners with two equivalent F(10)Li3Ni tetrahedra, corners with two equivalent F(14)Li4 tetrahedra, corners with two equivalent F(2)Li4 tetrahedra, and corners with four equivalent F(16)Li4 tetrahedra. In the fourteenth F site, F(15) is bonded to one Li(1); one Li(13,15); and two equivalent Li(3) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(1)Li4 tetrahedra; corners with two equivalent F(15)Li4 tetrahedra; corners with two equivalent F(3)Li4 tetrahedra; corners with three equivalent F(9,11)Li3Ni tetrahedra; and corners with four equivalent F(13)Li4 tetrahedra. In the fifteenth F site, F(16) is bonded to one Li(16), one Li(2), and two equivalent Li(4) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(10)Li3Ni tetrahedra,  a cornercorner with one F(2)Li4 tetrahedra, corners with two equivalent F(12)Li3Ni tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(4)Li4 tetrahedra, and corners with four equivalent F(14)Li4 tetrahedra. In the sixteenth F site, F(17) is bonded to one Li(7), one Li(9), and two equivalent Li(5) atoms to form corner-sharing FLi4 tetrahedra. In the seventeenth F site, F(18) is bonded to one Li(10), one Li(8), and two equivalent Li(6) atoms to form corner-sharing FLi4 tetrahedra. In the eighteenth F site, F(19) is bonded to one Li(11), one Li(5), and two equivalent Li(7) atoms to form corner-sharing FLi4 tetrahedra. In the nineteenth F site, F(20) is bonded to one Li(12), one Li(6), and two equivalent Li(8) atoms to form corner-sharing FLi4 tetrahedra.
Li5NiOF5 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are eighteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(15), and two equivalent F(13) atoms to form corner-sharing LiF4 tetrahedra. The Li(1)-F(1) bond length is 1.89 Å. The Li(1)-F(15) bond length is 1.92 Å. Both Li(1)-F(13) bond lengths are 1.92 Å. In the second Li site, Li(2) is bonded to one F(16), one F(2), and two equivalent F(14) atoms to form corner-sharing LiF4 tetrahedra. The Li(2)-F(16) bond length is 1.91 Å. The Li(2)-F(2) bond length is 1.89 Å. Both Li(2)-F(14) bond lengths are 1.93 Å. In the third Li site, Li(3) is bonded to one F(13), one F(3), and two equivalent F(15) atoms to form corner-sharing LiF4 tetrahedra. The Li(3)-F(13) bond length is 1.92 Å. The Li(3)-F(3) bond length is 1.89 Å. Both Li(3)-F(15) bond lengths are 1.92 Å. In the fourth Li site, Li(4) is bonded to one F(14), one F(4), and two equivalent F(16) atoms to form corner-sharing LiF4 tetrahedra. The Li(4)-F(14) bond length is 1.94 Å. The Li(4)-F(4) bond length is 1.91 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Li(4)-F(16) bond length. In the fifth Li site, Li(5) is bonded to one F(19), one F(5), and two equivalent F(17) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(11)F4 tetrahedra,  a cornercorner with one Li(19)OF3 tetrahedra, corners with two equivalent Li(5)F4 tetrahedra, corners with two equivalent Li(9)F4 tetrahedra, corners with two equivalent Li(17)OF3 tetrahedra, and corners with four equivalent Li(7)F4 tetrahedra. The Li(5)-F(19) bond length is 1.92 Å. The Li(5)-F(5) bond length is 1.90 Å. Both Li(5)-F(17) bond lengths are 1.93 Å. In the sixth Li site, Li(6) is bonded to one F(20), one F(6), and two equivalent F(18) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(12)F4 tetrahedra; corners with two equivalent Li(10)F4 tetrahedra; corners with two equivalent Li(6)F4 tetrahedra; corners with three equivalent Li(18,20)OF3 tetrahedra; and corners with four equivalent Li(8)F4 tetrahedra. The Li(6)-F(20) bond length is 1.92 Å. The Li(6)-F(6) bond length is 1.89 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Li(6)-F(18) bond length. In the seventh Li site, Li(7) is bonded to one F(17), one F(7), and two equivalent F(19) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(9)F4 tetrahedra,  a cornercorner with one Li(17)OF3 tetrahedra, corners with two equivalent Li(11)F4 tetrahedra, corners with two equivalent Li(7)F4 tetrahedra, corners with two equivalent Li(19)OF3 tetrahedra, and corners with four equivalent Li(5)F4 tetrahedra. The Li(7)-F(17) bond length is 1.93 Å. The Li(7)-F(7) bond length is 1.89 Å. Both Li(7)-F(19) bond lengths are 1.93 Å. In the eighth Li site, Li(8) is bonded to one F(18), one F(8), and two equivalent F(20) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(10)F4 tetrahedra; corners with two equivalent Li(12)F4 tetrahedra; corners with two equivalent Li(8)F4 tetrahedra; corners with three equivalent Li(18,20)OF3 tetrahedra; and corners with four equivalent Li(6)F4 tetrahedra. The Li(8)-F(18) bond length is 1.92 Å. The Li(8)-F(8) bond length is 1.89 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Li(8)-F(20) bond length. In the ninth Li site, Li(9) is bonded to one F(17), one F(3), and two equivalent F(1) atoms to form corner-sharing LiF4 tetrahedra. The Li(9)-F(17) bond length is 1.90 Å. The Li(9)-F(3) bond length is 1.92 Å. Both Li(9)-F(1) bond lengths are 1.93 Å. In the tenth Li site, Li(10) is bonded to one F(18), one F(4), and two equivalent F(2) atoms to form corner-sharing LiF4 tetrahedra. The Li(10)-F(18) bond length is 1.89 Å. The Li(10)-F(4) bond length is 1.92 Å. Both Li(10)-F(2) bond lengths are 1.93 Å. In the eleventh Li site, Li(11) is bonded to one F(1), one F(19), and two equivalent F(3) atoms to form corner-sharing LiF4 tetrahedra. The Li(11)-F(1) bond length is 1.92 Å. The Li(11)-F(19) bond length is 1.90 Å. Both Li(11)-F(3) bond lengths are 1.93 Å. In the twelfth Li site, Li(12) is bonded to one F(2), one F(20), and two equivalent F(4) atoms to form corner-sharing LiF4 tetrahedra. The Li(12)-F(2) bond length is 1.93 Å. The Li(12)-F(20) bond length is 1.90 Å. Both Li(12)-F(4) bond lengths are 1.93 Å. In the thirteenth Li site, Li(13,15) is bonded to one F(13) and three equivalent F(9,11) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(3)F4 tetrahedra; corners with two equivalent Li(1)F4 tetrahedra; corners with three equivalent Ni(1,4)O3F tetrahedra; and corners with six equivalent Li(13,15)F4 tetrahedra. The Li(13,15)-F(13) bond length is 1.88 Å. All Li(13,15)-F(9,11) bond lengths are 1.92 Å. In the fourteenth Li site, Li(14) is bonded to one F(12), one F(14), and two equivalent F(10) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Ni(2)O3F tetrahedra, corners with two equivalent Li(14)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Ni(3)O3F tetrahedra, and corners with four equivalent Li(16)F4 tetrahedra. The Li(14)-F(12) bond length is 1.89 Å. The Li(14)-F(14) bond length is 1.90 Å. Both Li(14)-F(10) bond lengths are 1.94 Å. In the fifteenth Li site, Li(16) is bonded to one F(10), one F(16), and two equivalent F(12) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Ni(3)O3F tetrahedra, corners with two equivalent Li(16)F4 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with two equivalent Ni(2)O3F tetrahedra, and corners with four equivalent Li(14)F4 tetrahedra. The Li(16)-F(10) bond length is 1.94 Å. The Li(16)-F(16) bond length is 1.90 Å. Both Li(16)-F(12) bond lengths are 1.90 Å. In the sixteenth Li site, Li(17) is bonded to one O(1), one F(7), and two equivalent F(5) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Li(7)F4 tetrahedra,  a cornercorner with one Ni(2)O3F tetrahedra, corners with two equivalent Li(5)F4 tetrahedra, corners with two equivalent Li(17)OF3 tetrahedra, corners with two equivalent Ni(3)O3F tetrahedra, and corners with four equivalent Li(19)OF3 tetrahedra. The Li(17)-O(1) bond length is 1.99 Å. The Li(17)-F(7) bond length is 1.92 Å. Both Li(17)-F(5) bond lengths are 1.93 Å. In the seventeenth Li site, Li(18,20) is bonded to one O(2,4); one F(8); and two equivalent F(6) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Li(8)F4 tetrahedra; corners with two equivalent Li(6)F4 tetrahedra; corners with three equivalent Ni(1,4)O3F tetrahedra; and corners with six equivalent Li(18,20)OF3 tetrahedra. The Li(18,20)-O(2,4) bond length is 1.99 Å. The Li(18,20)-F(8) bond length is 1.93 Å. Both Li(18,20)-F(6) bond lengths are 1.93 Å. In the eighteenth Li site, Li(19) is bonded to one O(3), one F(5), and two equivalent F(7) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Ni(3)O3F tetrahedra, corners with two equivalent Li(7)F4 tetrahedra, corners with two equivalent Li(19)OF3 tetrahedra, corners with two equivalent Ni(2)O3F tetrahedra, and corners with four equivalent Li(17)OF3 tetrahedra. The Li(19)-O(3) bond length is 1.99 Å. The Li(19)-F(5) bond length is 1.93 Å. Both Li(19)-F(7) bond lengths are 1.93 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1,4) is bonded to three equivalent O(2,4) and one F(9,11) atom to form NiO3F tetrahedra that share corners with three equivalent Li(13,15)F4 tetrahedra; corners with three equivalent Li(18,20)OF3 tetrahedra; and corners with six equivalent Ni(1,4)O3F tetrahedra. There is one shorter (1.91 Å) and two longer (1.92 Å) Ni(1,4)-O(2,4) bond lengths. The Ni(1,4)-F(9,11) bond length is 2.26 Å. In the second Ni site, Ni(2) is bonded to one O(1), two equivalent O(3), and one F(12) atom to form NiO3F tetrahedra that share  a cornercorner with one Li(14)F4 tetrahedra,  a cornercorner with one Li(17)OF3 tetrahedra, corners with two equivalent Li(16)F4 tetrahedra, corners with two equivalent Li(19)OF3 tetrahedra, corners with two equivalent Ni(2)O3F tetrahedra, and corners with four equivalent Ni(3)O3F tetrahedra. The Ni(2)-O(1) bond length is 1.90 Å. Both Ni(2)-O(3) bond lengths are 1.90 Å. The Ni(2)-F(12) bond length is 2.30 Å. In the third Ni site, Ni(3) is bonded to one O(3), two equivalent O(1), and one F(10) atom to form NiO3F tetrahedra that share  a cornercorner with one Li(16)F4 tetrahedra,  a cornercorner with one Li(19)OF3 tetrahedra, corners with two equivalent Li(14)F4 tetrahedra, corners with two equivalent Li(17)OF3 tetrahedra, corners with two equivalent Ni(3)O3F tetrahedra, and corners with four equivalent Ni(2)O3F tetrahedra. The Ni(3)-O(3) bond length is 1.93 Å. Both Ni(3)-O(1) bond lengths are 1.91 Å. The Ni(3)-F(10) bond length is 2.10 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(17), one Ni(2), and two equivalent Ni(3) atoms to form OLiNi3 tetrahedra that share  a cornercorner with one F(12)Li3Ni tetrahedra,  a cornercorner with one F(7)Li4 tetrahedra, corners with two equivalent O(1)LiNi3 tetrahedra, corners with two equivalent F(10)Li3Ni tetrahedra, corners with two equivalent F(5)Li4 tetrahedra, and corners with four equivalent O(3)LiNi3 tetrahedra. In the second O site, O(2,4) is bonded to one Li(18,20) and three equivalent Ni(1,4) atoms to form OLiNi3 tetrahedra that share  a cornercorner with one F(8)Li4 tetrahedra; corners with two equivalent F(6)Li4 tetrahedra; corners with three equivalent F(9,11)Li3Ni tetrahedra; and corners with six equivalent O(2,4)LiNi3 tetrahedra. In the third O site, O(3) is bonded to one Li(19), one Ni(3), and two equivalent Ni(2) atoms to form OLiNi3 tetrahedra that share  a cornercorner with one F(10)Li3Ni tetrahedra,  a cornercorner with one F(5)Li4 tetrahedra, corners with two equivalent O(3)LiNi3 tetrahedra, corners with two equivalent F(12)Li3Ni tetrahedra, corners with two equivalent F(7)Li4 tetrahedra, and corners with four equivalent O(1)LiNi3 tetrahedra. There are nineteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(11), and two equivalent Li(9) atoms to form corner-sharing FLi4 tetrahedra. In the second F site, F(2) is bonded to one Li(12), one Li(2), and two equivalent Li(10) atoms to form corner-sharing FLi4 tetrahedra. In the third F site, F(3) is bonded to one Li(3), one Li(9), and two equivalent Li(11) atoms to form corner-sharing FLi4 tetrahedra. In the fourth F site, F(4) is bonded to one Li(10), one Li(4), and two equivalent Li(12) atoms to form corner-sharing FLi4 tetrahedra. In the fifth F site, F(5) is bonded to one Li(19), one Li(5), and two equivalent Li(17) atoms to form FLi4 tetrahedra that share  a cornercorner with one O(3)LiNi3 tetrahedra,  a cornercorner with one F(19)Li4 tetrahedra, corners with two equivalent O(1)LiNi3 tetrahedra, corners with two equivalent F(17)Li4 tetrahedra, corners with two equivalent F(5)Li4 tetrahedra, and corners with four equivalent F(7)Li4 tetrahedra. In the sixth F site, F(6) is bonded to one Li(6) and three equivalent Li(18,20) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(20)Li4 tetrahedra; corners with two equivalent F(18)Li4 tetrahedra; corners with two equivalent F(6)Li4 tetrahedra; corners with three equivalent O(2,4)LiNi3 tetrahedra; and corners with four equivalent F(8)Li4 tetrahedra. In the seventh F site, F(7) is bonded to one Li(17), one Li(7), and two equivalent Li(19) atoms to form FLi4 tetrahedra that share  a cornercorner with one O(1)LiNi3 tetrahedra,  a cornercorner with one F(17)Li4 tetrahedra, corners with two equivalent O(3)LiNi3 tetrahedra, corners with two equivalent F(19)Li4 tetrahedra, corners with two equivalent F(7)Li4 tetrahedra, and corners with four equivalent F(5)Li4 tetrahedra. In the eighth F site, F(8) is bonded to one Li(8) and three equivalent Li(18,20) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(18)Li4 tetrahedra; corners with two equivalent F(20)Li4 tetrahedra; corners with two equivalent F(8)Li4 tetrahedra; corners with three equivalent O(2,4)LiNi3 tetrahedra; and corners with four equivalent F(6)Li4 tetrahedra. In the ninth F site, F(9,11) is bonded to three equivalent Li(13,15) and one Ni(1,4) atom to form FLi3Ni tetrahedra that share  a cornercorner with one F(15)Li4 tetrahedra; corners with two equivalent F(13)Li4 tetrahedra; corners with three equivalent O(2,4)LiNi3 tetrahedra; and corners with six equivalent F(9,11)Li3Ni tetrahedra. In the tenth F site, F(10) is bonded to one Li(16), two equivalent Li(14), and one Ni(3) atom to form FLi3Ni tetrahedra that share  a cornercorner with one O(3)LiNi3 tetrahedra,  a cornercorner with one F(16)Li4 tetrahedra, corners with two equivalent O(1)LiNi3 tetrahedra, corners with two equivalent F(10)Li3Ni tetrahedra, corners with two equivalent F(14)Li4 tetrahedra, and corners with four equivalent F(12)Li3Ni tetrahedra. In the eleventh F site, F(12) is bonded to one Li(14), two equivalent Li(16), and one Ni(2) atom to form FLi3Ni tetrahedra that share  a cornercorner with one O(1)LiNi3 tetrahedra,  a cornercorner with one F(14)Li4 tetrahedra, corners with two equivalent O(3)LiNi3 tetrahedra, corners with two equivalent F(12)Li3Ni tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, and corners with four equivalent F(10)Li3Ni tetrahedra. In the twelfth F site, F(13) is bonded to one Li(13,15); one Li(3); and two equivalent Li(1) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(3)Li4 tetrahedra; corners with two equivalent F(1)Li4 tetrahedra; corners with two equivalent F(13)Li4 tetrahedra; corners with three equivalent F(9,11)Li3Ni tetrahedra; and corners with four equivalent F(15)Li4 tetrahedra. In the thirteenth F site, F(14) is bonded to one Li(14), one Li(4), and two equivalent Li(2) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(12)Li3Ni tetrahedra,  a cornercorner with one F(4)Li4 tetrahedra, corners with two equivalent F(10)Li3Ni tetrahedra, corners with two equivalent F(14)Li4 tetrahedra, corners with two equivalent F(2)Li4 tetrahedra, and corners with four equivalent F(16)Li4 tetrahedra. In the fourteenth F site, F(15) is bonded to one Li(1); one Li(13,15); and two equivalent Li(3) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(1)Li4 tetrahedra; corners with two equivalent F(15)Li4 tetrahedra; corners with two equivalent F(3)Li4 tetrahedra; corners with three equivalent F(9,11)Li3Ni tetrahedra; and corners with four equivalent F(13)Li4 tetrahedra. The F(15)-Li(13,15) bond length is 1.88 Å. In the fifteenth F site, F(16) is bonded to one Li(16), one Li(2), and two equivalent Li(4) atoms to form FLi4 tetrahedra that share  a cornercorner with one F(10)Li3Ni tetrahedra,  a cornercorner with one F(2)Li4 tetrahedra, corners with two equivalent F(12)Li3Ni tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(4)Li4 tetrahedra, and corners with four equivalent F(14)Li4 tetrahedra. In the sixteenth F site, F(17) is bonded to one Li(7), one Li(9), and two equivalent Li(5) atoms to form corner-sharing FLi4 tetrahedra. In the seventeenth F site, F(18) is bonded to one Li(10), one Li(8), and two equivalent Li(6) atoms to form corner-sharing FLi4 tetrahedra. In the eighteenth F site, F(19) is bonded to one Li(11), one Li(5), and two equivalent Li(7) atoms to form corner-sharing FLi4 tetrahedra. In the nineteenth F site, F(20) is bonded to one Li(12), one Li(6), and two equivalent Li(8) atoms to form corner-sharing FLi4 tetrahedra.