Materials Data on MnRu3 by Materials Project

Abstract

MnRu3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Ru atoms to form MnRu12 cuboctahedra that share corners with six equivalent MnRu12 cuboctahedra, corners with twelve equivalent RuMn4Ru8 cuboctahedra, edges with eighteen equivalent RuMn4Ru8 cuboctahedra, faces with eight equivalent MnRu12 cuboctahedra, and faces with twelve equivalent RuMn4Ru8 cuboctahedra. There are six shorter (2.61 Å) and six longer (2.69 Å) Mn–Ru bond lengths. Ru is bonded to four equivalent Mn and eight equivalent Ru atoms to form distorted RuMn4Ru8 cuboctahedra that share corners with four equivalent MnRu12 cuboctahedra, corners with fourteen equivalent RuMn4Ru8 cuboctahedra, edges with six equivalent MnRu12 cuboctahedra, edges with twelve equivalent RuMn4Ru8 cuboctahedra, faces with four equivalent MnRu12 cuboctahedra, and faces with sixteen equivalent RuMn4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.64–2.74 Å.