LiBeH3 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 6-coordinate geometry to one H(3), two equivalent H(1), and three equivalent H(2) atoms. Be(1) is bonded to one H(1), one H(2), and two equivalent H(3) atoms to form corner-sharing BeH4 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a T-shaped geometry to two equivalent Li(1) and one Be(1) atom. In the second H site, H(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li(1) and one Be(1) atom. In the third H site, H(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Be(1) atoms.
LiBeH3 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 6-coordinate geometry to one H(3), two equivalent H(1), and three equivalent H(2) atoms. The Li(1)-H(3) bond length is 1.98 Å. There is one shorter (1.83 Å) and one longer (1.96 Å) Li(1)-H(1) bond length. There are a spread of Li(1)-H(2) bond distances ranging from 2.00-2.17 Å. Be(1) is bonded to one H(1), one H(2), and two equivalent H(3) atoms to form corner-sharing BeH4 tetrahedra. The Be(1)-H(1) bond length is 1.40 Å. The Be(1)-H(2) bond length is 1.43 Å. There is one shorter (1.43 Å) and one longer (1.45 Å) Be(1)-H(3) bond length. There are three inequivalent H sites. In the first H site, H(1) is bonded in a T-shaped geometry to two equivalent Li(1) and one Be(1) atom. In the second H site, H(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li(1) and one Be(1) atom. In the third H site, H(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Be(1) atoms.