LiAlSiH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Al(1)O4 tetrahedra and corners with three equivalent Si(1)O4 tetrahedra. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent Al(1)O4 tetrahedra. There are two 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. There are five inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one H(1), and one H(2) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Al(1) and one Si(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom.
LiAlSiH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Al(1)O4 tetrahedra and corners with three equivalent Si(1)O4 tetrahedra. The Li(1)-O(2) bond length is 2.05 Å. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(4) bond length is 2.03 Å. The Li(1)-O(5) bond length is 1.93 Å. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. The Al(1)-O(1) bond length is 1.77 Å. The Al(1)-O(2) bond length is 1.78 Å. The Al(1)-O(3) bond length is 1.77 Å. The Al(1)-O(4) bond length is 1.78 Å. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent Al(1)O4 tetrahedra. The Si(1)-O(1) bond length is 1.64 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(4) bond length is 1.65 Å. There are two 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 0.99 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 0.98 Å. There are five inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one H(1), and one H(2) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Al(1) and one Si(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom.