LiBeAsO5 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 Be(1)O4 tetrahedra and corners with three equivalent As(1)O4 tetrahedra. Be(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BeO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent Be(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Be(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Be(1), and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Be(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Be(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Li(1) atom.
LiBeAsO5 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 Be(1)O4 tetrahedra and corners with three equivalent As(1)O4 tetrahedra. The Li(1)-O(2) bond length is 1.95 Å. The Li(1)-O(3) bond length is 1.96 Å. The Li(1)-O(4) bond length is 2.00 Å. The Li(1)-O(5) bond length is 2.04 Å. Be(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BeO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent As(1)O4 tetrahedra. The Be(1)-O(1) bond length is 1.65 Å. The Be(1)-O(2) bond length is 1.63 Å. The Be(1)-O(3) bond length is 1.63 Å. The Be(1)-O(4) bond length is 1.66 Å. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent Be(1)O4 tetrahedra. The As(1)-O(1) bond length is 1.72 Å. The As(1)-O(2) bond length is 1.70 Å. The As(1)-O(3) bond length is 1.72 Å. The As(1)-O(4) bond length is 1.72 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Be(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Be(1), and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Be(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Be(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Li(1) atom.