Materials Data on Be12V by Materials Project

Abstract

Be12V 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 distorted q6 geometry to ten Be and two equivalent V atoms. There are a spread of Be–Be bond distances ranging from 2.10–2.34 Å. Both Be–V bond lengths are 2.58 Å. In the second Be site, Be is bonded in a 10-coordinate geometry to nine Be and one V atom. There are one shorter (2.18 Å) and four longer (2.20 Å) Be–Be bond lengths. The Be–V bond length is 2.52 Å. In the third Be site, Be is bonded to ten Be and two equivalent V atoms to form a mixture of distorted face, edge, and corner-sharing BeBe10V2 cuboctahedra. Both Be–Be bond lengths are 2.08 Å. Both Be–V bond lengths are 2.75 Å. V is bonded in a 12-coordinate geometry to twenty Be atoms.