Materials Data on Os3W by Materials Project

Abstract

WOs3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W6+ is bonded to twelve equivalent Os2- atoms to form WOs12 cuboctahedra that share corners with six equivalent WOs12 cuboctahedra, corners with twelve equivalent OsOs8W4 cuboctahedra, edges with eighteen equivalent OsOs8W4 cuboctahedra, faces with eight equivalent WOs12 cuboctahedra, and faces with twelve equivalent OsOs8W4 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.78 Å) W–Os bond lengths. Os2- is bonded to four equivalent W6+ and eight equivalent Os2- atoms to form OsOs8W4 cuboctahedra that share corners with four equivalent WOs12 cuboctahedra, corners with fourteen equivalent OsOs8W4 cuboctahedra, edges with six equivalent WOs12 cuboctahedra, edges with twelve equivalent OsOs8W4 cuboctahedra, faces with four equivalent WOs12 cuboctahedra, and faces with sixteen equivalent OsOs8W4 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.73–2.79 Å.