Materials Data on Zn3Ru by Materials Project

RuZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ru is bonded to twelve Zn atoms to form RuZn12 cuboctahedra that share corners with four equivalent ZnZn8Ru4 cuboctahedra, corners with eight equivalent RuZn12 cuboctahedra, edges with four equivalent RuZn12 cuboctahedra, edges with twelve ZnZn8Ru4 cuboctahedra, faces with five equivalent RuZn12 cuboctahedra, and faces with nine ZnZn8Ru4 cuboctahedra. There are a spread of Ru–Zn bond distances ranging from 2.63–2.81 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ru and eight Zn atoms to form distorted ZnZn8Ru4 cuboctahedra that share corners with four equivalent RuZn12 cuboctahedra, corners with eight equivalent ZnZn8Ru4 cuboctahedra, edges with four equivalent RuZn12 cuboctahedra, edges with twelve ZnZn8Ru4 cuboctahedra, faces with five equivalent RuZn12 cuboctahedra, and faces with nine ZnZn8Ru4 cuboctahedra. There are four shorter (2.68 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Ru and four equivalent Zn atoms. In the third Zn site, Zn is bonded to four equivalent Ru and eight Zn atoms to form ZnZn8Ru4 cuboctahedra that share corners with four equivalent ZnZn8Ru4 cuboctahedra, edges with eight equivalent RuZn12 cuboctahedra, edges with eight equivalent ZnZn8Ru4 cuboctahedra, faces with four equivalent RuZn12 cuboctahedra, and faces with twelve ZnZn8Ru4 cuboctahedra. All Zn–Zn bond lengths are 2.68 Å.