Materials Data on TaRu3 by Materials Project

Abstract

TaRu3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with six equivalent TaRu12 cuboctahedra, corners with twelve equivalent RuTa4Ru8 cuboctahedra, edges with eighteen equivalent RuTa4Ru8 cuboctahedra, faces with eight equivalent TaRu12 cuboctahedra, and faces with twelve equivalent RuTa4Ru8 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.80 Å) Ta–Ru bond lengths. Ru is bonded to four equivalent Ta and eight equivalent Ru atoms to form distorted RuTa4Ru8 cuboctahedra that share corners with four equivalent TaRu12 cuboctahedra, corners with fourteen equivalent RuTa4Ru8 cuboctahedra, edges with six equivalent TaRu12 cuboctahedra, edges with twelve equivalent RuTa4Ru8 cuboctahedra, faces with four equivalent TaRu12 cuboctahedra, and faces with sixteen equivalent RuTa4Ru8 cuboctahedra. There are four shorter (2.73 Å) and four longer (2.80 Å) Ru–Ru bond lengths.