Materials Data on ErAgSn2 by Materials Project

Abstract

AgErSn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to four equivalent Ag and eight equivalent Sn atoms to form ErAg4Sn8 cuboctahedra that share corners with twelve equivalent ErAg4Sn8 cuboctahedra, edges with eight equivalent AgEr4Sn8 cuboctahedra, edges with sixteen equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent AgEr4Sn8 cuboctahedra, faces with six equivalent ErAg4Sn8 cuboctahedra, and faces with eight equivalent SnEr4Ag4Sn4 cuboctahedra. All Er–Ag bond lengths are 3.27 Å. All Er–Sn bond lengths are 3.20 Å. Ag is bonded to four equivalent Er and eight equivalent Sn atoms to form AgEr4Sn8 cuboctahedra that share corners with twelve equivalent AgEr4Sn8 cuboctahedra, edges with eight equivalent ErAg4Sn8 cuboctahedra, edges with sixteen equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent ErAg4Sn8 cuboctahedra, faces with six equivalent AgEr4Sn8 cuboctahedra, and faces with eight equivalent SnEr4Ag4Sn4 cuboctahedra. All Ag–Sn bond lengths are 3.20 Å. Sn is bonded to four equivalent Er, four equivalent Ag, and four equivalent Sn atoms to form distorted SnEr4Ag4Sn4 cuboctahedra that share corners with twelve equivalent SnEr4Ag4Sn4 cuboctahedra, edges with eight equivalent ErAg4Sn8 cuboctahedra, edges with eight equivalent AgEr4Sn8 cuboctahedra, edges with eight equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent ErAg4Sn8 cuboctahedra, faces with four equivalent AgEr4Sn8 cuboctahedra, and faces with ten equivalent SnEr4Ag4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.27 Å.