Materials Data on AsPRu by Materials Project

Abstract

RuAsP crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to two equivalent As3- and four equivalent P3- atoms to form RuAs2P4 octahedra that share corners with eight equivalent RuAs4P2 octahedra, corners with four equivalent PPRu3 tetrahedra, and edges with two equivalent RuAs2P4 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. Both Ru–As bond lengths are 2.43 Å. All Ru–P bond lengths are 2.43 Å. In the second Ru6+ site, Ru6+ is bonded to four equivalent As3- and two equivalent P3- atoms to form RuAs4P2 octahedra that share corners with eight equivalent RuAs2P4 octahedra, corners with two equivalent PPRu3 tetrahedra, and edges with two equivalent RuAs4P2 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. All Ru–As bond lengths are 2.46 Å. Both Ru–P bond lengths are 2.41 Å. As3- is bonded in a 4-coordinate geometry to three Ru6+ and one As3- atom. The As–As bond length is 2.43 Å. P3- is bonded to three Ru6+ and one P3- atom to form PPRu3 tetrahedra that share corners with three RuAs2P4 octahedra, corners with five equivalent PPRu3 tetrahedra, and an edgeedge with one PPRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–70°. The P–P bond length is 2.37 Å.