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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnAg3 by Materials Project

Ag3Zn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Zn atoms to form AgZn4Ag8 cuboctahedra that share corners with twelve equivalent AgZn4Ag8 cuboctahedra, edges with eight equivalent ZnAg12 cuboctahedra, edges with sixteen equivalent AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with fourteen equivalent AgZn4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.90 Å. All Ag–Zn bond lengths are 2.90 Å. Zn is bonded to twelve equivalent Ag atoms to form ZnAg12 cuboctahedra that share corners with twelve equivalent ZnAg12 cuboctahedra, edges with twenty-four equivalent AgZn4Ag8 cuboctahedra, faces with six equivalent ZnAg12 cuboctahedra, and faces with twelve equivalent AgZn4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnAg3 by Materials Project

Ag3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Zn atoms to form AgZn4Ag8 cuboctahedra that share corners with twelve equivalent AgZn4Ag8 cuboctahedra, edges with eight equivalent ZnAg12 cuboctahedra, edges with sixteen AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with fourteen AgZn4Ag8 cuboctahedra. There are four shorter (2.85 Å) and four longer (2.93 Å) Ag–Ag bond lengths. All Ag–Zn bond lengths are 2.93 Å. In the second Ag site, Ag is bonded to eight equivalent Ag and four equivalent Zn atoms to form distorted AgZn4Ag8 cuboctahedra that share corners with four equivalent AgZn4Ag8 cuboctahedra, corners with eight equivalent ZnAg12 cuboctahedra, edges with twenty-four AgZn4Ag8 cuboctahedra, faces with six equivalent ZnAg12 cuboctahedra, and faces with twelve AgZn4Ag8 cuboctahedra. All Ag–Zn bond lengths are 2.85 Å. Zn is bonded to twelve Ag atoms to form ZnAg12 cuboctahedra that share corners with four equivalent ZnAg12 cuboctahedra, corners with eight equivalent AgZn4Ag8 cuboctahedra, edges with eight equivalent ZnAg12 cuboctahedra, edges with sixteen equivalent AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with fourteen AgZn4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗