Materials Data on Be12Ag by Materials Project

Abstract

Be12Ag 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 Ag atoms to form a mixture of corner, edge, and face-sharing BeBe10Ag2 cuboctahedra. There are six shorter (2.13 Å) and four longer (2.26 Å) Be–Be bond lengths. Both Be–Ag bond lengths are 2.81 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ag atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Ag2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.23–2.44 Å. Both Be–Ag bond lengths are 2.74 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Ag atom. The Be–Be bond length is 2.16 Å. The Be–Ag bond length is 2.60 Å. Ag is bonded in a 12-coordinate geometry to twenty Be atoms.