Materials Data on SiAg3 by Materials Project
Ag3Si is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ag+1.33+ sites. In the first Ag+1.33+ site, Ag+1.33+ is bonded to eight Ag+1.33+ and four equivalent Si4- atoms to form AgSi4Ag8 cuboctahedra that share corners with four equivalent SiAg12 cuboctahedra, corners with fourteen AgSi4Ag8 cuboctahedra, edges with six equivalent SiAg12 cuboctahedra, edges with twelve AgSi4Ag8 cuboctahedra, faces with four equivalent SiAg12 cuboctahedra, and faces with sixteen AgSi4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–3.03 Å. There are a spread of Ag–Si bond distances ranging from 2.83–2.97 Å. In the second Ag+1.33+ site, Ag+1.33+ is bonded to eight equivalent Ag+1.33+ and four equivalent Si4- atoms to form AgSi4Ag8 cuboctahedra that share corners with four equivalent SiAg12 cuboctahedra, corners with fourteen AgSi4Ag8 cuboctahedra, edges with six equivalent SiAg12 cuboctahedra, edges with twelve equivalent AgSi4Ag8 cuboctahedra, faces with four equivalent SiAg12 cuboctahedra, and faces with sixteen AgSi4Ag8 cuboctahedra. There are two shorter (2.83 Å) and two longer (2.97 Å) Ag–Si bond lengths. Si4- is bonded to twelve Ag+1.33+ atoms to form SiAg12 cuboctahedra that share corners with six equivalent SiAg12 cuboctahedra, corners with twelve AgSi4Ag8 cuboctahedra, edges with eighteen AgSi4Ag8 cuboctahedra, faces with eight equivalent SiAg12 cuboctahedra, and faces with twelve AgSi4Ag8 cuboctahedra.