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Materials Data on Ag3Au by Materials Project

AuAg3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au is bonded to twelve equivalent Ag atoms to form AuAg12 cuboctahedra that share corners with six equivalent AuAg12 cuboctahedra, corners with twelve equivalent AgAg8Au4 cuboctahedra, edges with eighteen equivalent AgAg8Au4 cuboctahedra, faces with eight equivalent AuAg12 cuboctahedra, and faces with twelve equivalent AgAg8Au4 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Au–Ag bond lengths. Ag is bonded to four equivalent Au and eight equivalent Ag atoms to form distorted AgAg8Au4 cuboctahedra that share corners with four equivalent AuAg12 cuboctahedra, corners with fourteen equivalent AgAg8Au4 cuboctahedra, edges with six equivalent AuAg12 cuboctahedra, edges with twelve equivalent AgAg8Au4 cuboctahedra, faces with four equivalent AuAg12 cuboctahedra, and faces with sixteen equivalent AgAg8Au4 cuboctahedra. There are two shorter (2.94 Å) and six longer (2.95 Å) Ag–Ag bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Ag3Au by Materials Project

AuAg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded to twelve Ag atoms to form AuAg12 cuboctahedra that share corners with four equivalent AuAg12 cuboctahedra, corners with eight equivalent AgAg8Au4 cuboctahedra, edges with eight equivalent AuAg12 cuboctahedra, edges with sixteen equivalent AgAg8Au4 cuboctahedra, faces with four equivalent AuAg12 cuboctahedra, and faces with fourteen AgAg8Au4 cuboctahedra. There are eight shorter (2.94 Å) and four longer (2.95 Å) Au–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Au and eight Ag atoms to form distorted AgAg8Au4 cuboctahedra that share corners with twelve equivalent AgAg8Au4 cuboctahedra, edges with eight equivalent AuAg12 cuboctahedra, edges with sixteen AgAg8Au4 cuboctahedra, faces with four equivalent AuAg12 cuboctahedra, and faces with fourteen AgAg8Au4 cuboctahedra. There are four shorter (2.94 Å) and four longer (2.95 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to four equivalent Au and eight equivalent Ag atoms to form distorted AgAg8Au4 cuboctahedra that share corners with four equivalent AgAg8Au4 cuboctahedra, corners with eight equivalent AuAg12 cuboctahedra, edges with twenty-four AgAg8Au4 cuboctahedra, faces with six equivalent AuAg12 cuboctahedra, and faces with twelve AgAg8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ag3Au by Materials Project

AuAg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded to twelve equivalent Ag atoms to form AuAg12 cuboctahedra that share corners with twelve equivalent AuAg12 cuboctahedra, edges with twenty-four equivalent AgAg8Au4 cuboctahedra, faces with six equivalent AuAg12 cuboctahedra, and faces with twelve equivalent AgAg8Au4 cuboctahedra. All Au–Ag bond lengths are 2.94 Å. Ag is bonded to four equivalent Au and eight equivalent Ag atoms to form distorted AgAg8Au4 cuboctahedra that share corners with twelve equivalent AgAg8Au4 cuboctahedra, edges with eight equivalent AuAg12 cuboctahedra, edges with sixteen equivalent AgAg8Au4 cuboctahedra, faces with four equivalent AuAg12 cuboctahedra, and faces with fourteen equivalent AgAg8Au4 cuboctahedra. All Ag–Ag bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗