Materials Data on Pr5SiGe2 by Materials Project

Abstract

Pr5Ge2Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to four Ge and two equivalent Si atoms. There are a spread of Pr–Ge bond distances ranging from 3.22–3.24 Å. There are one shorter (3.20 Å) and one longer (3.21 Å) Pr–Si bond lengths. In the second Pr site, Pr is bonded in a 5-coordinate geometry to three Ge and two equivalent Si atoms. There are one shorter (3.07 Å) and two longer (3.62 Å) Pr–Ge bond lengths. There are one shorter (3.04 Å) and one longer (3.22 Å) Pr–Si bond lengths. In the third Pr site, Pr is bonded in a 5-coordinate geometry to three Ge and two equivalent Si atoms. There are one shorter (3.24 Å) and two longer (3.63 Å) Pr–Ge bond lengths. Both Pr–Si bond lengths are 3.06 Å. In the fourth Pr site, Pr is bonded in a 3-coordinate geometry to three Ge and two equivalent Si atoms. There are a spread of Pr–Ge bond distances ranging from 3.05–3.22 Å. Both Pr–Si bond lengths are 3.62 Å. In the fifth Pr site, Pr is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.06–3.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Pr atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Pr atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Pr atoms. Si is bonded in a 9-coordinate geometry to nine Pr atoms.