Materials Data on Y3MnAu5 by Materials Project

Abstract

Y3MnAu5 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine Au atoms. There are a spread of Y–Au bond distances ranging from 2.92–3.27 Å. Mn is bonded in a 8-coordinate geometry to eight Au atoms. There are a spread of Mn–Au bond distances ranging from 2.70–2.98 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in an octahedral geometry to six equivalent Y atoms. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to six equivalent Y and two equivalent Mn atoms. In the third Au site, Au is bonded in a 4-coordinate geometry to six equivalent Y and one Mn atom. In the fourth Au site, Au is bonded in a 7-coordinate geometry to five equivalent Y and two equivalent Mn atoms.