Materials Data on TeAsRu by Materials Project

Abstract

RuAsTe is Spinel-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru5+ is bonded to three equivalent As3- and three equivalent Te2- atoms to form RuTe3As3 octahedra that share corners with eight equivalent RuTe3As3 octahedra, corners with three equivalent AsTeRu3 tetrahedra, corners with three equivalent TeAsRu3 tetrahedra, and edges with two equivalent RuTe3As3 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are two shorter (2.45 Å) and one longer (2.46 Å) Ru–As bond lengths. There are one shorter (2.68 Å) and two longer (2.70 Å) Ru–Te bond lengths. As3- is bonded to three equivalent Ru5+ and one Te2- atom to form AsTeRu3 tetrahedra that share corners with three equivalent RuTe3As3 octahedra, corners with four equivalent AsTeRu3 tetrahedra, corners with nine equivalent TeAsRu3 tetrahedra, and an edgeedge with one AsTeRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–75°. The As–Te bond length is 2.74 Å. Te2- is bonded to three equivalent Ru5+ and one As3- atom to form TeAsRu3 tetrahedra that share corners with three equivalent RuTe3As3 octahedra, corners with four equivalent TeAsRu3 tetrahedra, corners with nine equivalent AsTeRu3 tetrahedra, and an edgeedge with one TeAsRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–77°.