Materials Data on BaSn3Pt by Materials Project

Abstract

BaPtSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pt and twelve Sn atoms. There are four shorter (3.91 Å) and one longer (3.93 Å) Ba–Pt bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.64–3.78 Å. Pt is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.67 Å) and four longer (2.73 Å) Pt–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pt, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a distorted single-bond geometry to four equivalent Ba, one Pt, and four equivalent Sn atoms.