Materials Data on Zr2Al3 by Materials Project
Zr2Al3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to nine Al atoms. There are a spread of Zr–Al bond distances ranging from 2.88–3.21 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Al atoms. There are two shorter (2.66 Å) and two longer (2.71 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to six equivalent Zr and four Al atoms. Both Al–Al bond lengths are 2.80 Å.
36 MATERIALS SCIENCE↗