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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SbAu3 by Materials Project

Au3Sb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au1- is bonded to eight equivalent Au1- and four equivalent Sb3+ atoms to form distorted AuSb4Au8 cuboctahedra that share corners with twelve equivalent AuSb4Au8 cuboctahedra, edges with eight equivalent SbAu12 cuboctahedra, edges with sixteen equivalent AuSb4Au8 cuboctahedra, faces with four equivalent SbAu12 cuboctahedra, and faces with fourteen equivalent AuSb4Au8 cuboctahedra. All Au–Au bond lengths are 3.05 Å. All Au–Sb bond lengths are 3.05 Å. Sb3+ is bonded to twelve equivalent Au1- atoms to form SbAu12 cuboctahedra that share corners with twelve equivalent SbAu12 cuboctahedra, edges with twenty-four equivalent AuSb4Au8 cuboctahedra, faces with six equivalent SbAu12 cuboctahedra, and faces with twelve equivalent AuSb4Au8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbAu3 by Materials Project

Au3Sb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to eight Au1- and four equivalent Sb3+ atoms to form distorted AuSb4Au8 cuboctahedra that share corners with twelve equivalent AuSb4Au8 cuboctahedra, edges with eight equivalent SbAu12 cuboctahedra, edges with sixteen AuSb4Au8 cuboctahedra, faces with four equivalent SbAu12 cuboctahedra, and faces with fourteen AuSb4Au8 cuboctahedra. There are four shorter (3.03 Å) and four longer (3.06 Å) Au–Au bond lengths. All Au–Sb bond lengths are 3.06 Å. In the second Au1- site, Au1- is bonded to eight equivalent Au1- and four equivalent Sb3+ atoms to form distorted AuSb4Au8 cuboctahedra that share corners with four equivalent AuSb4Au8 cuboctahedra, corners with eight equivalent SbAu12 cuboctahedra, edges with twenty-four AuSb4Au8 cuboctahedra, faces with six equivalent SbAu12 cuboctahedra, and faces with twelve AuSb4Au8 cuboctahedra. All Au–Sb bond lengths are 3.03 Å. Sb3+ is bonded to twelve Au1- atoms to form SbAu12 cuboctahedra that share corners with four equivalent SbAu12 cuboctahedra, corners with eight equivalent AuSb4Au8 cuboctahedra, edges with eight equivalent SbAu12 cuboctahedra, edges with sixteen equivalent AuSb4Au8 cuboctahedra, faces with four equivalent SbAu12 cuboctahedra, and faces with fourteen AuSb4Au8 cuboctahedra.

36 MATERIALS SCIENCE↗