Materials Data on Pr2Si3 by Materials Project

Abstract

Pr2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Pr–Si bond distances ranging from 3.06–3.25 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Pr–Si bond distances ranging from 3.10–3.23 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Pr and one Si atom. The Si–Si bond length is 2.35 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to six Pr and two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Pr and three Si atoms.