Al4P5HO20 crystallizes in the triclinic P-1 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(13), one O(16), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The Al(1)-O(1) bond length is 1.75 Å. The Al(1)-O(13) bond length is 1.73 Å. The Al(1)-O(16) bond length is 1.73 Å. The Al(1)-O(8) bond length is 1.75 Å. In the second Al site, Al(2) is bonded to one O(10), one O(15), one O(18), one O(4), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. The Al(2)-O(10) bond length is 1.79 Å. The Al(2)-O(15) bond length is 1.92 Å. The Al(2)-O(18) bond length is 1.79 Å. The Al(2)-O(4) bond length is 1.80 Å. The Al(2)-O(6) bond length is 1.84 Å. In the third Al site, Al(3) is bonded to one O(11), one O(20), one O(5), and one O(9) atom to form AlO4 tetrahedra 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(3)-O(11) bond length is 1.74 Å. The Al(3)-O(20) bond length is 1.75 Å. The Al(3)-O(5) bond length is 1.73 Å. The Al(3)-O(9) bond length is 1.74 Å. In the fourth Al site, Al(4) is bonded to one O(12), one O(14), one O(17), one O(19), and one O(7) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Al(4)-O(12) bond length is 1.80 Å. The Al(4)-O(14) bond length is 1.91 Å. The Al(4)-O(17) bond length is 1.79 Å. The Al(4)-O(19) bond length is 1.83 Å. The Al(4)-O(7) bond length is 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(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and  a cornercorner with one Al(3)O4 tetrahedra. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.50 Å. The P(1)-O(9) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, and corners with two equivalent Al(4)O5 trigonal bipyramids. The P(2)-O(10) bond length is 1.53 Å. The P(2)-O(13) bond length is 1.54 Å. The P(2)-O(14) bond length is 1.53 Å. The P(2)-O(17) bond length is 1.52 Å. In the third P site, P(3) is bonded to one O(16), one O(19), one O(20), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and corners with two equivalent Al(4)O5 trigonal bipyramids. The P(3)-O(16) bond length is 1.53 Å. The P(3)-O(19) bond length is 1.50 Å. The P(3)-O(20) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The P(4)-O(4) bond length is 1.54 Å. The P(4)-O(5) bond length is 1.52 Å. The P(4)-O(6) bond length is 1.50 Å. The P(4)-O(8) bond length is 1.54 Å. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(15), and one O(18) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid, and corners with two equivalent Al(2)O5 trigonal bipyramids. The P(5)-O(11) bond length is 1.54 Å. The P(5)-O(12) bond length is 1.53 Å. The P(5)-O(15) bond length is 1.53 Å. The P(5)-O(18) bond length is 1.52 Å. H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.83 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Al(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Al(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Al(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Al(4) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Al(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Al(3) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Al(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Al(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Al(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Al(4) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Al(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Al(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Al(4) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Al(2) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Al(4) and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Al(3) and one P(3) atom. Linkers: 8 [O]P([O])([O])=O ,2 [O]P([O])(=O)O. Metal clusters: 8 [Al]. The MOF has largest included sphere 5.18 A, density 1.82 g/cm3, surface area 2473.03 m2/g, accessible volume 0.19 cm3/g