Materials Data on YAgSn2 by Materials Project

Abstract

YAgSn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded to four equivalent Ag and eight equivalent Sn atoms to form YAg4Sn8 cuboctahedra that share corners with twelve equivalent YAg4Sn8 cuboctahedra, edges with eight equivalent AgY4Sn8 cuboctahedra, edges with sixteen equivalent SnY4Ag4Sn4 cuboctahedra, faces with four equivalent AgY4Sn8 cuboctahedra, faces with six equivalent YAg4Sn8 cuboctahedra, and faces with eight equivalent SnY4Ag4Sn4 cuboctahedra. All Y–Ag bond lengths are 3.29 Å. All Y–Sn bond lengths are 3.21 Å. Ag is bonded to four equivalent Y and eight equivalent Sn atoms to form AgY4Sn8 cuboctahedra that share corners with twelve equivalent AgY4Sn8 cuboctahedra, edges with eight equivalent YAg4Sn8 cuboctahedra, edges with sixteen equivalent SnY4Ag4Sn4 cuboctahedra, faces with four equivalent YAg4Sn8 cuboctahedra, faces with six equivalent AgY4Sn8 cuboctahedra, and faces with eight equivalent SnY4Ag4Sn4 cuboctahedra. All Ag–Sn bond lengths are 3.21 Å. Sn is bonded to four equivalent Y, four equivalent Ag, and four equivalent Sn atoms to form distorted SnY4Ag4Sn4 cuboctahedra that share corners with twelve equivalent SnY4Ag4Sn4 cuboctahedra, edges with eight equivalent YAg4Sn8 cuboctahedra, edges with eight equivalent AgY4Sn8 cuboctahedra, edges with eight equivalent SnY4Ag4Sn4 cuboctahedra, faces with four equivalent YAg4Sn8 cuboctahedra, faces with four equivalent AgY4Sn8 cuboctahedra, and faces with ten equivalent SnY4Ag4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.29 Å.