Materials Data on Ge19(AsI)4 by Materials Project

Abstract

Ge19As4(I)4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge19As4 framework. In the Ge19As4 framework, there are three inequivalent Ge sites. In the first Ge site, Ge is bonded to three Ge and one As atom to form GeGe3As tetrahedra that share corners with two equivalent AsGe4 tetrahedra and corners with ten GeGe3As tetrahedra. There are a spread of Ge–Ge bond distances ranging from 2.49–2.54 Å. The Ge–As bond length is 2.55 Å. In the second Ge site, Ge is bonded to three equivalent Ge and one As atom to form distorted GeGe3As tetrahedra that share corners with three equivalent AsGe4 tetrahedra and corners with nine GeGe4 tetrahedra. The Ge–As bond length is 2.50 Å. In the third Ge site, Ge is bonded to four equivalent Ge atoms to form GeGe4 tetrahedra that share corners with four equivalent AsGe4 tetrahedra and corners with eight GeGe3As tetrahedra. As is bonded to four Ge atoms to form AsGe4 tetrahedra that share corners with twelve GeGe3As tetrahedra.