Materials Data on SbTeRu by Materials Project

Abstract

RuSbTe is Pyrite-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 Te2- atoms to form RuSb3Te3 octahedra that share corners with eight equivalent RuSb3Te3 octahedra, corners with three equivalent TeSbRu3 tetrahedra, and edges with two equivalent RuSb3Te3 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are one shorter (2.69 Å) and two longer (2.71 Å) Ru–Sb bond lengths. There are two shorter (2.61 Å) and one longer (2.62 Å) Ru–Te bond lengths. Sb3- is bonded in a 4-coordinate geometry to three equivalent Ru5+ and one Te2- atom. The Sb–Te bond length is 2.93 Å. Te2- is bonded to three equivalent Ru5+ and one Sb3- atom to form distorted TeSbRu3 tetrahedra that share corners with three equivalent RuSb3Te3 octahedra, corners with four equivalent TeSbRu3 tetrahedra, and an edgeedge with one TeSbRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–80°.