Materials Data on SrIn3Hg by Materials Project

Abstract

SrHgIn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to four equivalent Hg and twelve In atoms. All Sr–Hg bond lengths are 3.69 Å. There are a spread of Sr–In bond distances ranging from 3.69–3.97 Å. Hg is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are one shorter (2.77 Å) and four longer (2.97 Å) Hg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Sr, two equivalent Hg, and two equivalent In atoms. Both In–In bond lengths are 2.99 Å. In the second In site, In is bonded in a 1-coordinate geometry to four equivalent Sr, one Hg, and four equivalent In atoms.