Materials Data on Yb3SnH2 by Materials Project

Abstract

Yb3SnH2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to two equivalent Sn and four equivalent H atoms. Both Yb–Sn bond lengths are 3.45 Å. All Yb–H bond lengths are 2.24 Å. In the second Yb site, Yb is bonded in a 2-coordinate geometry to four equivalent Sn and two equivalent H atoms. There are a spread of Yb–Sn bond distances ranging from 3.30–3.85 Å. Both Yb–H bond lengths are 2.22 Å. Sn is bonded in a 10-coordinate geometry to ten Yb atoms. H is bonded to four Yb atoms to form a mixture of corner and edge-sharing HYb4 tetrahedra.