AlPO4(H2O)2 crystallizes in the monoclinic P2_1/c space group. Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form AlO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-42°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(4) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Al(1), one H(3), and one H(4) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one Al(1), one H(1), and one H(2) atom. In the third O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one P(1), and one H(4) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(1), one P(1), and one H(3) atom.
AlPO4(H2O)2 crystallizes in the monoclinic P2_1/c space group. Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form AlO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. The Al(1)-O(1) bond length is 1.88 Å. The Al(1)-O(2) bond length is 1.88 Å. The Al(1)-O(3) bond length is 1.92 Å. The Al(1)-O(4) bond length is 1.90 Å. The Al(1)-O(5) bond length is 1.98 Å. The Al(1)-O(6) bond length is 1.91 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-42°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.56 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.99 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(4) atom. The H(3)-O(3) bond length is 1.67 Å. The H(3)-O(4) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(6) atom. The H(4)-O(4) bond length is 1.00 Å. The H(4)-O(6) bond length is 1.64 Å. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Al(1), one H(3), and one H(4) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one Al(1), one H(1), and one H(2) atom. In the third O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one P(1), and one H(4) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(1), one P(1), and one H(3) atom.