Materials Data on Be12Au by Materials Project
Be12Au 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 to ten Be and two equivalent Au atoms to form a mixture of face, edge, and corner-sharing BeBe10Au2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.12–2.25 Å. Both Be–Au bond lengths are 2.80 Å. In the second Be site, Be is bonded to ten Be and two equivalent Au atoms to form a mixture of distorted face, edge, and corner-sharing BeBe10Au2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.22–2.44 Å. Both Be–Au bond lengths are 2.75 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Au atom. The Be–Be bond length is 2.18 Å. The Be–Au bond length is 2.57 Å. Au is bonded in a 4-coordinate geometry to twenty Be atoms.