Materials Data on ReAg3 by Materials Project

Abstract

ReAg3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to twelve equivalent Ag atoms to form ReAg12 cuboctahedra that share corners with six equivalent ReAg12 cuboctahedra, corners with twelve equivalent AgRe4Ag8 cuboctahedra, edges with eighteen equivalent AgRe4Ag8 cuboctahedra, faces with eight equivalent ReAg12 cuboctahedra, and faces with twelve equivalent AgRe4Ag8 cuboctahedra. There are six shorter (2.84 Å) and six longer (2.92 Å) Re–Ag bond lengths. Ag is bonded to four equivalent Re and eight equivalent Ag atoms to form AgRe4Ag8 cuboctahedra that share corners with four equivalent ReAg12 cuboctahedra, corners with fourteen equivalent AgRe4Ag8 cuboctahedra, edges with six equivalent ReAg12 cuboctahedra, edges with twelve equivalent AgRe4Ag8 cuboctahedra, faces with four equivalent ReAg12 cuboctahedra, and faces with sixteen equivalent AgRe4Ag8 cuboctahedra. There are six shorter (2.87 Å) and two longer (2.96 Å) Ag–Ag bond lengths.