Materials Data on Pr2Al3Ge by Materials Project

Pr2Al3Ge is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to ten Al and two equivalent Ge atoms to form a mixture of face and edge-sharing PrAl10Ge2 cuboctahedra. There are four shorter (3.32 Å) and six longer (3.33 Å) Pr–Al bond lengths. Both Pr–Ge bond lengths are 3.32 Å. In the second Pr site, Pr is bonded to eight Al and four equivalent Ge atoms to form a mixture of face and edge-sharing PrAl8Ge4 cuboctahedra. There are two shorter (3.31 Å) and six longer (3.32 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.31 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six Pr and three Al atoms. All Al–Al bond lengths are 2.52 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to six Pr, one Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.52 Å. In the third Al site, Al is bonded in a distorted single-bond geometry to six Pr, two equivalent Al, and one Ge atom. The Al–Ge bond length is 2.50 Å. Ge is bonded in a distorted trigonal planar geometry to six Pr and three Al atoms.