Results for “Ag3Hg” | Engineering Papers

DOE OSTI2020

Materials Data on Ag3Hg by Materials Project

Ag3Hg 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 Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with twelve equivalent AgAg8Hg4 cuboctahedra, edges with eight equivalent HgAg12 cuboctahedra, edges with sixteen equivalent AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with fourteen equivalent AgAg8Hg4 cuboctahedra. All Ag–Ag bond lengths are 3.00 Å. All Ag–Hg bond lengths are 3.00 Å. Hg is bonded to twelve equivalent Ag atoms to form HgAg12 cuboctahedra that share corners with twelve equivalent HgAg12 cuboctahedra, edges with twenty-four equivalent AgAg8Hg4 cuboctahedra, faces with six equivalent HgAg12 cuboctahedra, and faces with twelve equivalent AgAg8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ag3Hg by Materials Project

Ag3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. There are six shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. In the second Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. Both Ag–Ag bond lengths are 2.97 Å. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. In the third Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. There are four shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. Hg is bonded to twelve Ag atoms to form HgAg12 cuboctahedra that share corners with six equivalent HgAg12 cuboctahedra, corners with twelve AgAg8Hg4 cuboctahedra, edges with eighteen AgAg8Hg4 cuboctahedra, faces with eight equivalent HgAg12 cuboctahedra, and faces with twelve AgAg8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗