Materials Data on Yb3(SnPd)2 by Materials Project

Abstract

Yb3Pd2Sn2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to four Pd and five Sn atoms. There are a spread of Yb–Pd bond distances ranging from 2.95–3.33 Å. There are a spread of Yb–Sn bond distances ranging from 3.25–3.48 Å. In the second Yb site, Yb is bonded in a 9-coordinate geometry to four Pd and five Sn atoms. There are a spread of Yb–Pd bond distances ranging from 2.96–3.35 Å. There are a spread of Yb–Sn bond distances ranging from 3.24–3.46 Å. In the third Yb site, Yb is bonded in a 9-coordinate geometry to four Pd and five Sn atoms. There are two shorter (3.26 Å) and two longer (3.27 Å) Yb–Pd bond lengths. There are a spread of Yb–Sn bond distances ranging from 3.18–3.47 Å. In the fourth Yb site, Yb is bonded in a 9-coordinate geometry to four Pd and five Sn atoms. There are two shorter (3.23 Å) and two longer (3.28 Å) Yb–Pd bond lengths. There are a spread of Yb–Sn bond distances ranging from 3.17–3.47 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Yb and three Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.70–2.76 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Yb and three Sn atoms. There are one shorter (2.70 Å) and two longer (2.74 Å) Pd–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded to eight Yb and four Pd atoms to form a mixture of distorted edge, corner, and face-sharing SnYb8Pd4 cuboctahedra. In the second Sn site, Sn is bonded to eight Yb and four Pd atoms to form a mixture of distorted edge, corner, and face-sharing SnYb8Pd4 cuboctahedra. In the third Sn site, Sn is bonded in a 9-coordinate geometry to seven Yb and two equivalent Pd atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to seven Yb and two equivalent Pd atoms.