Ca2AlH2OF7 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(7) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Al site, Al(2) is bonded in an octahedral geometry to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. There are two 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(1) atom. O(1) is bonded in a water-like geometry to two equivalent Ca(2), one H(1), and one H(2) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one Al(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Ca(2) and two equivalent Ca(1) atoms.
Ca2AlH2OF7 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(7) atoms. The Ca(1)-F(1) bond length is 2.52 Å. The Ca(1)-F(2) bond length is 2.72 Å. The Ca(1)-F(3) bond length is 2.52 Å. The Ca(1)-F(4) bond length is 2.24 Å. The Ca(1)-F(5) bond length is 2.32 Å. The Ca(1)-F(6) bond length is 2.30 Å. There is one shorter (2.26 Å) and one longer (2.30 Å) Ca(1)-F(7) bond length. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom. There is one shorter (2.48 Å) and one longer (2.62 Å) Ca(2)-O(1) bond length. The Ca(2)-F(1) bond length is 2.46 Å. The Ca(2)-F(2) bond length is 2.39 Å. The Ca(2)-F(3) bond length is 2.42 Å. The Ca(2)-F(5) bond length is 2.42 Å. The Ca(2)-F(6) bond length is 2.43 Å. The Ca(2)-F(7) bond length is 2.25 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Al(1)-F(1) bond lengths are 1.82 Å. Both Al(1)-F(2) bond lengths are 1.85 Å. Both Al(1)-F(3) bond lengths are 1.85 Å. In the second Al site, Al(2) is bonded in an octahedral geometry to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. Both Al(2)-F(4) bond lengths are 1.79 Å. Both Al(2)-F(5) bond lengths are 1.86 Å. Both Al(2)-F(6) bond lengths are 1.86 Å. There are two 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 single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 0.98 Å. O(1) is bonded in a water-like geometry to two equivalent Ca(2), one H(1), and one H(2) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one Al(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Ca(2) and two equivalent Ca(1) atoms.