Materials Data on PrAl2Ag by Materials Project
PrAgAl2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to three equivalent Ag and nine equivalent Al atoms. All Pr–Ag bond lengths are 3.36 Å. There are six shorter (3.25 Å) and three longer (3.37 Å) Pr–Al bond lengths. In the second Pr site, Pr is bonded in a distorted hexagonal planar geometry to six equivalent Ag and twelve equivalent Al atoms. All Pr–Ag bond lengths are 3.29 Å. All Pr–Al bond lengths are 3.61 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. There are three shorter (2.75 Å) and three longer (2.79 Å) Ag–Al bond lengths. In the second Ag site, Ag is bonded to six equivalent Pr and six equivalent Al atoms to form edge-sharing AgPr6Al6 cuboctahedra. All Ag–Al bond lengths are 2.81 Å. Al is bonded in a 12-coordinate geometry to five Pr, three Ag, and four equivalent Al atoms. There are two shorter (2.81 Å) and two longer (2.89 Å) Al–Al bond lengths.