Materials Data on Be13Mo by Materials Project

Abstract

Be13Mo 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 Mo atom. Both Be–Be bond lengths are 2.11 Å. The Be–Mo bond length is 2.17 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 2.09–2.45 Å. In the third Be site, Be is bonded in a cuboctahedral geometry to twelve Be atoms. All Be–Be bond lengths are 2.28 Å. In the fourth Be site, Be is bonded to four equivalent Mo atoms to form corner-sharing BeMo4 tetrahedra. All Be–Mo bond lengths are 2.97 Å. In the fifth 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 2.09–2.45 Å. In the sixth Be site, Be is bonded in a 9-coordinate geometry to nine Be atoms. The Be–Be bond length is 2.45 Å. Mo is bonded in a 6-coordinate geometry to eight Be atoms.