Li3Ni5OF11 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(11), one F(3), one F(7), and one F(9) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(11), one F(4), one F(6), and one F(8) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one F(10), one F(2), one F(3), one F(5), and one F(9) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one O(1), one F(10), one F(2), one F(4), and one F(8) atom. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one F(2), one F(3), one F(4), and one F(6) atom. In the third Ni site, Ni(3) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(5), one F(8), and one F(9) atom. In the fourth Ni site, Ni(4) is bonded in a distorted square co-planar geometry to one F(10), one F(3), one F(4), and one F(7) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(8), and one F(9) atom. O(1) is bonded in a distorted water-like geometry to one Ni(1) and one Ni(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Ni(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one Ni(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(2), and one Ni(4) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(3) and one Ni(3) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Li(2) and one Ni(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Li(1) and one Ni(4) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Ni(1), one Ni(3), and one Ni(5) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(3), and one Ni(5) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one Ni(4) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Ni(5) atom.
Li3Ni5OF11 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(11), one F(3), one F(7), and one F(9) atom. The Li(1)-F(1) bond length is 2.36 Å. The Li(1)-F(11) bond length is 2.17 Å. The Li(1)-F(3) bond length is 2.35 Å. The Li(1)-F(7) bond length is 1.80 Å. The Li(1)-F(9) bond length is 1.91 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(11), one F(4), one F(6), and one F(8) atom. The Li(2)-F(1) bond length is 2.31 Å. The Li(2)-F(11) bond length is 2.48 Å. The Li(2)-F(4) bond length is 2.37 Å. The Li(2)-F(6) bond length is 1.80 Å. The Li(2)-F(8) bond length is 1.88 Å. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one F(10), one F(2), one F(3), one F(5), and one F(9) atom. The Li(3)-F(10) bond length is 2.52 Å. The Li(3)-F(2) bond length is 2.34 Å. The Li(3)-F(3) bond length is 1.83 Å. The Li(3)-F(5) bond length is 1.87 Å. The Li(3)-F(9) bond length is 2.25 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one O(1), one F(10), one F(2), one F(4), and one F(8) atom. The Ni(1)-O(1) bond length is 1.73 Å. The Ni(1)-F(10) bond length is 2.16 Å. The Ni(1)-F(2) bond length is 2.47 Å. The Ni(1)-F(4) bond length is 1.91 Å. The Ni(1)-F(8) bond length is 2.39 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one F(2), one F(3), one F(4), and one F(6) atom. The Ni(2)-F(2) bond length is 2.09 Å. The Ni(2)-F(3) bond length is 1.90 Å. The Ni(2)-F(4) bond length is 2.04 Å. The Ni(2)-F(6) bond length is 1.72 Å. In the third Ni site, Ni(3) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(5), one F(8), and one F(9) atom. The Ni(3)-F(1) bond length is 2.01 Å. The Ni(3)-F(5) bond length is 1.75 Å. The Ni(3)-F(8) bond length is 1.80 Å. The Ni(3)-F(9) bond length is 2.01 Å. In the fourth Ni site, Ni(4) is bonded in a distorted square co-planar geometry to one F(10), one F(3), one F(4), and one F(7) atom. The Ni(4)-F(10) bond length is 2.05 Å. The Ni(4)-F(3) bond length is 2.01 Å. The Ni(4)-F(4) bond length is 1.81 Å. The Ni(4)-F(7) bond length is 1.72 Å. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(8), and one F(9) atom. The Ni(5)-O(1) bond length is 1.66 Å. The Ni(5)-F(11) bond length is 2.04 Å. The Ni(5)-F(8) bond length is 2.13 Å. The Ni(5)-F(9) bond length is 1.85 Å. O(1) is bonded in a distorted water-like geometry to one Ni(1) and one Ni(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Ni(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one Ni(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(2), and one Ni(4) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(3) and one Ni(3) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Li(2) and one Ni(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Li(1) and one Ni(4) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Ni(1), one Ni(3), and one Ni(5) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(3), and one Ni(5) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one Ni(4) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Ni(5) atom.