Materials Data on Dy5Si4 by Materials Project

Abstract

Dy5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to six Si atoms to form distorted corner-sharing DySi6 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. There are a spread of Dy–Si bond distances ranging from 2.91–3.30 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 3.04–3.67 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Dy–Si bond distances ranging from 2.86–3.03 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Dy and one Si atom. The Si–Si bond length is 2.54 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Dy and one Si atom. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Dy and one Si atom. The Si–Si bond length is 2.51 Å.