Materials Data on ThInAg2 by Materials Project

Abstract

ThAg2In is Heusler structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to eight equivalent Ag and six equivalent In atoms. There are a spread of Th–Ag bond distances ranging from 3.13–3.17 Å. There are two shorter (3.61 Å) and four longer (3.65 Å) Th–In bond lengths. Ag is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent In atoms. There are three shorter (3.14 Å) and one longer (3.17 Å) Ag–In bond lengths. In is bonded in a distorted body-centered cubic geometry to six equivalent Th and eight equivalent Ag atoms.