Materials Data on Tm2Al3Si2 by Materials Project

Abstract

Tm2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Tm–Al bond distances ranging from 3.00–3.22 Å. There are a spread of Tm–Si bond distances ranging from 2.85–2.98 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Tm 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 Tm and two equivalent Si atoms. Both Al–Si bond lengths are 2.71 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tm, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.