Materials Data on Be4B by Materials Project
Be4B crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to four equivalent B atoms to form a mixture of distorted edge and corner-sharing BeB4 tetrahedra. All Be–B bond lengths are 2.05 Å. In the second Be site, Be is bonded in a 9-coordinate geometry to twelve Be and one B atom. There are a spread of Be–Be bond distances ranging from 2.08–2.38 Å. The Be–B bond length is 2.19 Å. In the third Be site, Be is bonded in a distorted bent 120 degrees geometry to four equivalent Be and two equivalent B atoms. Both Be–B bond lengths are 1.92 Å. B is bonded in a 8-coordinate geometry to nine Be atoms.
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