Materials Data on AsRuS by Materials Project

Abstract

RuAsS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru5+ is bonded to three equivalent As3- and three equivalent S2- atoms to form distorted RuAs3S3 octahedra that share corners with eight equivalent RuAs3S3 octahedra, corners with three equivalent AsRu3S tetrahedra, corners with three equivalent SAsRu3 tetrahedra, and edges with two equivalent RuAs3S3 octahedra. The corner-sharing octahedra tilt angles range from 54–63°. There are a spread of Ru–As bond distances ranging from 2.49–2.52 Å. There are a spread of Ru–S bond distances ranging from 2.32–2.35 Å. As3- is bonded to three equivalent Ru5+ and one S2- atom to form distorted AsRu3S tetrahedra that share corners with three equivalent RuAs3S3 octahedra, corners with four equivalent AsRu3S tetrahedra, corners with nine equivalent SAsRu3 tetrahedra, and an edgeedge with one AsRu3S tetrahedra. The corner-sharing octahedra tilt angles range from 68–72°. The As–S bond length is 2.41 Å. S2- is bonded to three equivalent Ru5+ and one As3- atom to form SAsRu3 tetrahedra that share corners with three equivalent RuAs3S3 octahedra, corners with four equivalent SAsRu3 tetrahedra, corners with nine equivalent AsRu3S tetrahedra, and an edgeedge with one SAsRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–77°.