Materials Data on Tb2Mg5Ag by Materials Project

Abstract

Mg5Tb2Ag crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to one Mg, four equivalent Tb, and three equivalent Ag atoms. The Mg–Mg bond length is 3.17 Å. There are one shorter (3.09 Å) and three longer (3.15 Å) Mg–Tb bond lengths. All Mg–Ag bond lengths are 3.10 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to three equivalent Mg, four equivalent Tb, and one Ag atom. All Mg–Mg bond lengths are 3.14 Å. There are three shorter (3.08 Å) and one longer (3.13 Å) Mg–Tb bond lengths. The Mg–Ag bond length is 3.04 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg and six equivalent Tb atoms. All Mg–Tb bond lengths are 3.57 Å. Tb is bonded in a distorted body-centered cubic geometry to eleven Mg atoms. Ag is bonded in a distorted body-centered cubic geometry to eight Mg atoms.