Materials Data on PrAu6 by Materials Project

Abstract

PrAu6 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to sixteen Au+0.50- atoms. There are a spread of Pr–Au bond distances ranging from 3.20–3.88 Å. There are three inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and nine Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.36 Å. In the second Au+0.50- site, Au+0.50- is bonded in a 3-coordinate geometry to three equivalent Pr3+ and seven Au+0.50- atoms. There are one shorter (2.81 Å) and two longer (3.03 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and eight Au+0.50- atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Au–Au bond lengths.