Materials Data on NdSi2Ir3 by Materials Project

Abstract

NdIr3Si2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to two equivalent Nd, twelve Ir, and six equivalent Si atoms. Both Nd–Nd bond lengths are 3.65 Å. There are a spread of Nd–Ir bond distances ranging from 3.18–3.55 Å. There are a spread of Nd–Si bond distances ranging from 3.18–3.37 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Nd and four equivalent Si atoms. All Ir–Si bond lengths are 2.48 Å. In the second Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Si atoms. There are two shorter (2.44 Å) and two longer (2.46 Å) Ir–Si bond lengths. Si is bonded in a 10-coordinate geometry to three equivalent Nd and six Ir atoms.