Materials Data on RbBeH3 by Materials Project
RbBeH3 is Calcite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded to six H1- atoms to form corner-sharing RbH6 octahedra. The corner-sharing octahedra tilt angles range from 66–68°. There are a spread of Rb–H bond distances ranging from 2.81–2.86 Å. Be2+ is bonded in a trigonal planar geometry to three H1- atoms. All Be–H bond lengths are 1.40 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Be2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Be2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Be2+ atom.