Materials Data on Be12W by Materials Project

Abstract

Be12W crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 2-coordinate geometry to nine Be and one W atom. There are a spread of Be–Be bond distances ranging from 2.15–2.35 Å. The Be–W bond length is 2.53 Å. In the second Be site, Be is bonded to ten Be and two equivalent W atoms to form a mixture of face, edge, and corner-sharing BeBe10W2 cuboctahedra. All Be–Be bond lengths are 2.10 Å. Both Be–W bond lengths are 2.76 Å. In the third Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent W atoms. Both Be–Be bond lengths are 2.15 Å. Both Be–W bond lengths are 2.59 Å. W is bonded in a 12-coordinate geometry to twenty Be atoms.