LiAl2Pb2H4(O2F3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a square co-planar geometry to one F(1), one F(2), one F(5), and one F(6) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(5) atom to form edge-sharing AlO3F3 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one F(2), one F(4), and one F(6) atom to form edge-sharing AlO3F3 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one F(4) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one F(3) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one F(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) and one F(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), one Pb(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), one Pb(1), and one H(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Al(1), one Pb(1), one Pb(2), and one H(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Al(2), one Pb(1), one Pb(2), and one H(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted L-shaped geometry to one Li(1), one Al(1), and one H(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Al(2), and one H(4) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(2) and one Pb(1) atom. In the fifth F site, F(5) is bonded in an L-shaped geometry to one Li(1) and one Al(1) atom. In the sixth F site, F(6) is bonded in an L-shaped geometry to one Li(1) and one Al(2) atom.
LiAl2Pb2H4(O2F3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a square co-planar geometry to one F(1), one F(2), one F(5), and one F(6) atom. The Li(1)-F(1) bond length is 1.96 Å. The Li(1)-F(2) bond length is 1.96 Å. The Li(1)-F(5) bond length is 1.97 Å. The Li(1)-F(6) bond length is 1.97 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(5) atom to form edge-sharing AlO3F3 octahedra. The Al(1)-O(1) bond length is 1.91 Å. The Al(1)-O(2) bond length is 1.93 Å. The Al(1)-O(3) bond length is 1.93 Å. The Al(1)-F(1) bond length is 1.83 Å. The Al(1)-F(3) bond length is 1.86 Å. The Al(1)-F(5) bond length is 1.81 Å. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one F(2), one F(4), and one F(6) atom to form edge-sharing AlO3F3 octahedra. The Al(2)-O(1) bond length is 1.93 Å. The Al(2)-O(2) bond length is 1.91 Å. The Al(2)-O(4) bond length is 1.93 Å. The Al(2)-F(2) bond length is 1.83 Å. The Al(2)-F(4) bond length is 1.86 Å. The Al(2)-F(6) bond length is 1.81 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one F(4) atom. The Pb(1)-O(2) bond length is 2.68 Å. The Pb(1)-O(3) bond length is 2.40 Å. The Pb(1)-O(4) bond length is 2.55 Å. The Pb(1)-F(4) bond length is 2.62 Å. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one F(3) atom. The Pb(2)-O(1) bond length is 2.72 Å. The Pb(2)-O(3) bond length is 2.55 Å. The Pb(2)-O(4) bond length is 2.40 Å. The Pb(2)-F(3) bond length is 2.59 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one F(1) atom. The H(3)-O(3) bond length is 0.99 Å. The H(3)-F(1) bond length is 1.65 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) and one F(2) atom. The H(4)-O(4) bond length is 0.99 Å. The H(4)-F(2) bond length is 1.64 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), one Pb(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), one Pb(1), and one H(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Al(1), one Pb(1), one Pb(2), and one H(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Al(2), one Pb(1), one Pb(2), and one H(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted L-shaped geometry to one Li(1), one Al(1), and one H(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Al(2), and one H(4) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(2) and one Pb(1) atom. In the fifth F site, F(5) is bonded in an L-shaped geometry to one Li(1) and one Al(1) atom. In the sixth F site, F(6) is bonded in an L-shaped geometry to one Li(1) and one Al(2) atom.