Materials Data on MnBe12 by Materials Project

Abstract

Be12Mn 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 10-coordinate geometry to ten Be and two equivalent Mn atoms. There are a spread of Be–Be bond distances ranging from 2.05–2.17 Å. Both Be–Mn bond lengths are 2.73 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Mn atoms. There are a spread of Be–Be bond distances ranging from 2.12–2.35 Å. Both Be–Mn bond lengths are 2.54 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to thirteen Be and one Mn atom. There are one shorter (2.20 Å) and four longer (2.57 Å) Be–Be bond lengths. The Be–Mn bond length is 2.48 Å. Mn is bonded in a 12-coordinate geometry to twenty Be atoms.