Materials Data on Er2Al3Si2 by Materials Project

Abstract

Er2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Er–Al bond distances ranging from 3.01–3.23 Å. There are a spread of Er–Si bond distances ranging from 2.86–2.99 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.60 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.72 Å. Si is bonded in a 9-coordinate geometry to five equivalent Er, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.