Materials Data on KBeH3 by Materials Project
KBeH3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of K–H bond distances ranging from 2.67–2.89 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 K1+ and one Be2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Be2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Be2+ atom.
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