Materials Data on SbRuSe by Materials Project
RuSbSe is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru5+ is bonded to three equivalent Sb3- and three equivalent Se2- atoms to form RuSb3Se3 octahedra that share corners with eight equivalent RuSb3Se3 octahedra, corners with three equivalent SbRu3Se tetrahedra, corners with three equivalent SeSbRu3 tetrahedra, and edges with two equivalent RuSb3Se3 octahedra. The corner-sharing octahedra tilt angles range from 51–61°. There are a spread of Ru–Sb bond distances ranging from 2.65–2.69 Å. There are a spread of Ru–Se bond distances ranging from 2.46–2.50 Å. Sb3- is bonded to three equivalent Ru5+ and one Se2- atom to form distorted SbRu3Se tetrahedra that share corners with three equivalent RuSb3Se3 octahedra, corners with four equivalent SbRu3Se tetrahedra, corners with nine equivalent SeSbRu3 tetrahedra, and an edgeedge with one SbRu3Se tetrahedra. The corner-sharing octahedra tilt angles range from 68–74°. The Sb–Se bond length is 2.76 Å. Se2- is bonded to three equivalent Ru5+ and one Sb3- atom to form SeSbRu3 tetrahedra that share corners with three equivalent RuSb3Se3 octahedra, corners with four equivalent SeSbRu3 tetrahedra, corners with nine equivalent SbRu3Se tetrahedra, and an edgeedge with one SeSbRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 77–78°.