Materials Data on Be13W by Materials Project

Abstract

Be13W crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are six inequivalent Be sites. In the first Be site, Be is bonded in a distorted single-bond geometry to two Be and one W atom. Both Be–Be bond lengths are 2.11 Å. The Be–W bond length is 2.19 Å. In the second Be site, Be is bonded in a 9-coordinate geometry to nine Be atoms. There are a spread of Be–Be bond distances ranging from 2.09–2.46 Å. In the third Be site, Be is bonded in a 9-coordinate geometry to nine Be atoms. There are a spread of Be–Be bond distances ranging from 2.09–2.46 Å. In the fourth Be site, Be is bonded in a cuboctahedral geometry to twelve Be atoms. All Be–Be bond lengths are 2.28 Å. In the fifth Be site, Be is bonded to four equivalent W atoms to form corner-sharing BeW4 tetrahedra. All Be–W bond lengths are 2.98 Å. In the sixth Be site, Be is bonded in a 9-coordinate geometry to nine Be atoms. There are a spread of Be–Be bond distances ranging from 2.09–2.46 Å. W is bonded in a 6-coordinate geometry to eight Be atoms.