Materials Data on Be13W by Materials Project

Abstract

Be13W crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first 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 2.15–2.50 Å. In the second Be site, Be is bonded in a cuboctahedral geometry to twelve equivalent Be atoms. In the third Be site, Be is bonded to four equivalent W atoms to form corner-sharing BeW4 tetrahedra. All Be–W bond lengths are 2.95 Å. In the fourth Be site, Be is bonded in a 1-coordinate geometry to five Be and one W atom. There are one shorter (1.99 Å) and two longer (2.23 Å) Be–Be bond lengths. The Be–W bond length is 2.21 Å. W is bonded to eight Be atoms to form corner-sharing WBe8 hexagonal bipyramids.