DOE OSTI2020
Sr2Pt3In4 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to six Pt and ten In atoms. There are two shorter (3.35 Å) and four longer (3.56 Å) Sr–Pt bond lengths. There are a spread of Sr–In bond distances ranging from 3.59–3.81 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Pt and nine In atoms. All Sr–Pt bond lengths are 3.46 Å. There are six shorter (3.73 Å) and three longer (3.74 Å) Sr–In bond lengths. In the third Sr site, Sr is bonded in a 1-coordinate geometry to five Pt and eight In atoms. There are one shorter (2.99 Å) and four longer (3.25 Å) Sr–Pt bond lengths. There are a spread of Sr–In bond distances ranging from 3.39–3.44 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are a spread of Pt–In bond distances ranging from 2.69–2.85 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three Sr and six In atoms. There are two shorter (2.74 Å) and four longer (2.96 Å) Pt–In bond lengths. In the third Pt site, Pt is bonded in a 9-coordinate geometry to four Sr and five In atoms. There are a spread of Pt–In bond distances ranging from 2.79–2.84 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to five Sr and four Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to four Sr and four Pt atoms. In the third In site, In is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Pt atoms. In the fourth In site, In is bonded in a 4-coordinate geometry to four Sr and four Pt atoms.