Materials Data on Dy12Al7Si by Materials Project

Abstract

Dy12Al7Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Dy–Al bond distances ranging from 2.98–3.72 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to five Al and one Si atom. There are a spread of Dy–Al bond distances ranging from 3.04–3.33 Å. The Dy–Si bond length is 3.00 Å. In the third Dy site, Dy is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Dy–Al bond distances ranging from 3.11–3.50 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Dy atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In the third Al site, Al is bonded in a 10-coordinate geometry to nine Dy and one Al atom. The Al–Al bond length is 2.75 Å. Si is bonded in a 8-coordinate geometry to eight equivalent Dy atoms.