AlPO4 crystallizes in the cubic Fm-3c space group. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form distorted AlO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The Al(1)-O(3) bond length is 1.74 Å. The Al(1)-O(5) bond length is 1.76 Å. The Al(1)-O(6) bond length is 1.74 Å. The Al(1)-O(7) bond length is 1.66 Å. In the second Al site, Al(2) is bonded to one O(10), one O(4), one O(8), and one O(9) atom to form AlO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The Al(2)-O(10) bond length is 1.76 Å. The Al(2)-O(4) bond length is 1.74 Å. The Al(2)-O(8) bond length is 1.71 Å. The Al(2)-O(9) bond length is 1.79 Å. In the third Al site, Al(3) is bonded to one O(1), one O(11), one O(12), and one O(2) atom to form distorted AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Al(3)-O(1) bond length is 1.74 Å. The Al(3)-O(11) bond length is 1.77 Å. The Al(3)-O(12) bond length is 1.64 Å. The Al(3)-O(2) bond length is 1.61 Å. In the fourth Al site, Al(4) is bonded to one O(15), one O(16), and two equivalent O(13) atoms to form AlO4 tetrahedra that share corners with two equivalent P(3)O4 tetrahedra and corners with two equivalent P(4)O4 tetrahedra. The Al(4)-O(15) bond length is 1.62 Å. The Al(4)-O(16) bond length is 1.77 Å. Both Al(4)-O(13) bond lengths are 1.82 Å. In the fifth Al site, Al(5) is bonded in a trigonal planar geometry to one O(17) and two equivalent O(14) atoms. The Al(5)-O(17) bond length is 1.74 Å. Both Al(5)-O(14) bond lengths are 1.79 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Al(3)O4 tetrahedra,  a cornercorner with one Al(1)O4 trigonal pyramid, and  a cornercorner with one Al(2)O4 trigonal pyramid. The P(1)-O(1) bond length is 1.64 Å. The P(1)-O(2) bond length is 1.59 Å. The P(1)-O(3) bond length is 1.65 Å. The P(1)-O(4) bond length is 1.49 Å. In the second P site, P(2) is bonded to one O(11), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O4 tetrahedra and corners with three equivalent Al(1)O4 trigonal pyramids. The P(2)-O(11) bond length is 1.61 Å. The P(2)-O(5) bond length is 1.70 Å. The P(2)-O(6) bond length is 1.47 Å. The P(2)-O(7) bond length is 1.57 Å. In the third P site, P(3) is bonded to one O(12), one O(13), one O(14), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Al(2)O4 trigonal pyramid. The P(3)-O(12) bond length is 1.69 Å. The P(3)-O(13) bond length is 1.54 Å. The P(3)-O(14) bond length is 1.51 Å. The P(3)-O(9) bond length is 1.59 Å. In the fourth P site, P(4) is bonded to one O(15), one O(16), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Al(4)O4 tetrahedra and corners with two equivalent Al(2)O4 trigonal pyramids. The P(4)-O(15) bond length is 1.52 Å. The P(4)-O(16) bond length is 1.60 Å. Both P(4)-O(8) bond lengths are 1.69 Å. In the fifth P site, P(5) is bonded to one O(17), one O(18), and two equivalent O(10) atoms to form PO4 tetrahedra that share corners with two equivalent Al(2)O4 trigonal pyramids. The P(5)-O(17) bond length is 1.62 Å. The P(5)-O(18) bond length is 1.59 Å. Both P(5)-O(10) bond lengths are 1.61 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Al(3) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(3) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Al(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Al(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Al(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Al(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(2) and one P(5) atom. In the eleventh O site, O(12) is bonded in a bent 150 degrees geometry to one Al(3) and one P(3) atom. In the twelfth O site, O(13) is bonded in a bent 150 degrees geometry to one Al(4) and one P(3) atom. In the thirteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Al(5) and one P(3) atom. In the fourteenth O site, O(15) is bonded in a linear geometry to one Al(4) and one P(4) atom. In the fifteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Al(4) and one P(4) atom. In the sixteenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Al(5) and one P(5) atom. In the seventeenth O site, O(18) is bonded in a single-bond geometry to one P(5) atom. In the eighteenth O site, O(11) is bonded in a bent 120 degrees geometry to one Al(3) and one P(2) atom. Linkers: 768 [O]P([O])([O])=O. Metal clusters: 768 [Al]. The MOF has largest included sphere 14.33 A, density 1.15 g/cm3, surface area 2788.91 m2/g, accessible volume 0.51 cm3/g