Materials Data on CaAl3Ag by Materials Project

Abstract

CaAgAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to four equivalent Ag and four equivalent Al atoms. All Ca–Ag bond lengths are 3.21 Å. All Ca–Al bond lengths are 3.19 Å. Ag is bonded in a 9-coordinate geometry to four equivalent Ca and five Al atoms. There are one shorter (2.60 Å) and four longer (2.69 Å) Ag–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ag and two equivalent Al atoms. Both Al–Al bond lengths are 2.69 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to four equivalent Ca, one Ag, and four equivalent Al atoms.