AlCPO6 crystallizes in the orthorhombic Pccm space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form AlO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Al(1)-O(5) bond length is 1.85 Å. The Al(1)-O(6) bond length is 1.98 Å. The Al(1)-O(7) bond length is 2.04 Å. Both Al(1)-O(1) bond lengths are 1.87 Å. In the second Al site, Al(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Both Al(2)-O(2) bond lengths are 1.83 Å. Both Al(2)-O(3) bond lengths are 1.85 Å. Both Al(2)-O(4) bond lengths are 2.05 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(7) atom. The C(1)-O(6) bond length is 1.26 Å. The C(1)-O(7) bond length is 1.26 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to two equivalent O(4) atoms. Both C(2)-O(4) bond lengths are 1.25 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(8), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Al(2)O6 octahedra and  a cornercorner with one Al(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 28°. The P(1)-O(5) bond length is 1.51 Å. The P(1)-O(8) bond length is 1.59 Å. Both P(1)-O(3) bond lengths are 1.51 Å. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Al(2)O6 octahedra and corners with two equivalent Al(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 28°. Both P(2)-O(1) bond lengths are 1.53 Å. Both P(2)-O(2) bond lengths are 1.53 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the second O site, O(7) is bonded in a bent 120 degrees geometry to one Al(1) and one C(1) atom. In the third O site, O(8) is bonded in a single-bond geometry to one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Al(2) and one P(2) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one Al(2) and one C(2) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one Al(1) and one C(1) atom. Linkers: 4 [O]C(=O)C([O])=O. Metal clusters: 8 [Al]. The MOF has largest included sphere 6.26 A, density 1.55 g/cm3, surface area 2861.80 m2/g, accessible volume 0.31 cm3/g