Materials Data on Zn3Os by Materials Project

Abstract

OsZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os is bonded to twelve Zn atoms to form OsZn12 cuboctahedra that share corners with four equivalent OsZn12 cuboctahedra, edges with eight equivalent OsZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Os4 cuboctahedra, faces with four equivalent OsZn12 cuboctahedra, and faces with eight equivalent ZnZn8Os4 cuboctahedra. There are four shorter (2.61 Å) and eight longer (2.78 Å) Os–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Os and eight Zn atoms to form distorted ZnZn8Os4 cuboctahedra that share corners with twelve equivalent ZnZn8Os4 cuboctahedra, edges with eight equivalent OsZn12 cuboctahedra, edges with eight equivalent ZnZn8Os4 cuboctahedra, faces with four equivalent OsZn12 cuboctahedra, and faces with ten equivalent ZnZn8Os4 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.78 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a square co-planar geometry to four equivalent Os and eight equivalent Zn atoms.