CaAl2Pb2H4(O2F3)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(4), one F(1), one F(2), one F(3), 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 2-coordinate geometry to one O(2) and one O(3) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one F(1) 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 distorted single-bond geometry to one O(2) and one F(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one H(1) atom. In the second O site, O(2) is bonded in a 1-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 distorted single-bond geometry to one Ca(1), one Al(2), 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 water-like geometry to one Ca(1), one Al(1), and one Pb(2) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Ca(1) and one Al(2) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one Ca(1) and one Al(1) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Al(2) and one H(2) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Ca(1) and one Al(1) atom. In the sixth F site, F(6) is bonded in an L-shaped geometry to one Ca(1) and one Al(2) atom.
CaAl2Pb2H4(O2F3)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(4), one F(1), one F(2), one F(3), one F(5), and one F(6) atom. The Ca(1)-O(4) bond length is 2.57 Å. The Ca(1)-F(1) bond length is 2.24 Å. The Ca(1)-F(2) bond length is 2.34 Å. The Ca(1)-F(3) bond length is 2.50 Å. The Ca(1)-F(5) bond length is 2.30 Å. The Ca(1)-F(6) bond length is 2.25 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 1.86 Å. The Al(1)-O(2) bond length is 1.92 Å. The Al(1)-O(3) bond length is 1.97 Å. The Al(1)-F(1) bond length is 1.85 Å. The Al(1)-F(3) bond length is 1.89 Å. The Al(1)-F(5) bond length is 1.83 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 1.89 Å. The Al(2)-O(2) bond length is 1.94 Å. The Al(2)-O(4) bond length is 1.98 Å. The Al(2)-F(2) bond length is 1.85 Å. The Al(2)-F(4) bond length is 1.81 Å. The Al(2)-F(6) bond length is 1.82 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 2-coordinate geometry to one O(2) and one O(3) atom. The Pb(1)-O(2) bond length is 2.49 Å. The Pb(1)-O(3) bond length is 2.52 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one F(1) atom. The Pb(2)-O(3) bond length is 2.45 Å. The Pb(2)-O(4) bond length is 2.61 Å. The Pb(2)-F(1) bond length is 2.66 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 0.98 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one F(4) atom. The H(2)-O(2) bond length is 1.00 Å. The H(2)-F(4) bond length is 1.60 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. The H(3)-O(3) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. The H(4)-O(4) bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one H(1) atom. In the second O site, O(2) is bonded in a 1-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 distorted single-bond geometry to one Ca(1), one Al(2), 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 water-like geometry to one Ca(1), one Al(1), and one Pb(2) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Ca(1) and one Al(2) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one Ca(1) and one Al(1) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Al(2) and one H(2) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Ca(1) and one Al(1) atom. In the sixth F site, F(6) is bonded in an L-shaped geometry to one Ca(1) and one Al(2) atom.