Materials Data on PrSi2Ru by Materials Project

Abstract

PrRuSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.03–3.31 Å. Ru5+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.38–2.45 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Pr3+, four equivalent Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.57 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six equivalent Pr3+, one Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.53 Å.