Be2BH3O5 crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BeO4 tetrahedra. In the second Be site, Be(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BeO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Be(2), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Be(1), one H(1), one H(2), and one H(3) atom.
Be2BH3O5 crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BeO4 tetrahedra. The Be(1)-O(2) bond length is 1.64 Å. The Be(1)-O(3) bond length is 1.64 Å. The Be(1)-O(4) bond length is 1.63 Å. The Be(1)-O(5) bond length is 1.61 Å. In the second Be site, Be(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BeO4 tetrahedra. The Be(2)-O(1) bond length is 1.66 Å. The Be(2)-O(2) bond length is 1.62 Å. The Be(2)-O(3) bond length is 1.62 Å. The Be(2)-O(4) bond length is 1.61 Å. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. The B(1)-O(2) bond length is 1.37 Å. The B(1)-O(3) bond length is 1.37 Å. The B(1)-O(4) bond length is 1.37 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. The H(1)-O(1) bond length is 1.02 Å. The H(1)-O(5) bond length is 1.61 Å. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. The H(2)-O(1) bond length is 1.02 Å. The H(2)-O(5) bond length is 1.57 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. The H(3)-O(5) bond length is 0.97 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Be(2), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Be(1), one H(1), one H(2), and one H(3) atom.