Materials Data on HoSi3Ir by Materials Project

Abstract

HoIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Si atoms. All Ho–Ir bond lengths are 3.32 Å. There are a spread of Ho–Si bond distances ranging from 3.07–3.36 Å. Ir is bonded in a 5-coordinate geometry to four equivalent Ho and five Si atoms. There are one shorter (2.33 Å) and four longer (2.37 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Ho, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.56 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Ho, two equivalent Ir, and two equivalent Si atoms.