Materials Data on Pr2Ge5Ir3 by Materials Project

Abstract

Pr2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Pr–Ir bond distances ranging from 3.19–3.59 Å. There are a spread of Pr–Ge bond distances ranging from 3.04–3.39 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Pr and six Ge atoms. There are four shorter (2.56 Å) and two longer (2.70 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.44–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Ir, and two equivalent Ge atoms.