Materials Data on As2Rh by Materials Project

Abstract

RhAs2 is Pyrite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to six As2- atoms to form RhAs6 octahedra that share corners with eight equivalent RhAs6 octahedra, corners with six AsAsRh3 tetrahedra, and edges with two equivalent RhAs6 octahedra. The corner-sharing octahedra tilt angles range from 53–60°. There are a spread of Rh–As bond distances ranging from 2.45–2.54 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded to three equivalent Rh4+ and one As2- atom to form distorted AsAsRh3 tetrahedra that share corners with three equivalent RhAs6 octahedra, corners with thirteen AsAsRh3 tetrahedra, and an edgeedge with one AsAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 73–78°. The As–As bond length is 2.50 Å. In the second As2- site, As2- is bonded to three equivalent Rh4+ and one As2- atom to form AsAsRh3 tetrahedra that share corners with three equivalent RhAs6 octahedra, corners with thirteen AsAsRh3 tetrahedra, and an edgeedge with one AsAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–72°.