Materials Data on Nd2Si3 by Materials Project

Abstract

Nd2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are a spread of Nd–Si bond distances ranging from 3.03–3.22 Å. In the second Nd2+ site, Nd2+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Nd–Si bond distances ranging from 3.07–3.21 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 7-coordinate geometry to six Nd2+ and one Si+1.33- atom. The Si–Si bond length is 2.34 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to six Nd2+ and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.40 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six Nd2+ and three Si+1.33- atoms.