Materials Data on Fe3Si4Ir by Materials Project

Abstract

Fe3IrSi4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Fe is bonded in a 9-coordinate geometry to two equivalent Ir and seven Si atoms. There are one shorter (2.79 Å) and one longer (2.80 Å) Fe–Ir bond lengths. There are a spread of Fe–Si bond distances ranging from 2.29–2.60 Å. Ir is bonded in a 4-coordinate geometry to six equivalent Fe and seven Si atoms. There are four shorter (2.40 Å) and three longer (2.59 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six equivalent Fe and one Ir atom. In the second Si site, Si is bonded in a 7-coordinate geometry to five equivalent Fe and two equivalent Ir atoms.