CaAl(OF2)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. Al(1) is bonded to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted edge-sharing AlO2F4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ca(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one O(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one Al(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Al(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Al(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Al(1) atom.
CaAl(OF2)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. There is one shorter (2.53 Å) and one longer (2.57 Å) Ca(1)-O(1) bond length. The Ca(1)-F(1) bond length is 2.29 Å. The Ca(1)-F(2) bond length is 2.29 Å. There is one shorter (2.31 Å) and one longer (2.66 Å) Ca(1)-F(3) bond length. There is one shorter (2.40 Å) and one longer (2.41 Å) Ca(1)-F(4) bond length. Al(1) is bonded to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted edge-sharing AlO2F4 octahedra. There is one shorter (1.98 Å) and one longer (2.00 Å) Al(1)-O(2) bond length. The Al(1)-F(1) bond length is 1.73 Å. The Al(1)-F(2) bond length is 1.78 Å. The Al(1)-F(3) bond length is 1.77 Å. The Al(1)-F(4) bond length is 1.85 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ca(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one O(2) atom. The O(2)-O(2) bond length is 1.46 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one Al(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Al(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Al(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Al(1) atom.