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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ag3As by Materials Project

Ag3As is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag1+ is bonded to eight equivalent Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent AsAg12 cuboctahedra, corners with fourteen equivalent AgAg8As4 cuboctahedra, edges with six equivalent AsAg12 cuboctahedra, edges with twelve equivalent AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with sixteen equivalent AgAg8As4 cuboctahedra. There are four shorter (2.95 Å) and four longer (2.97 Å) Ag–Ag bond lengths. There are two shorter (2.95 Å) and two longer (2.97 Å) Ag–As bond lengths. As3- is bonded to twelve equivalent Ag1+ atoms to form AsAg12 cuboctahedra that share corners with six equivalent AsAg12 cuboctahedra, corners with twelve equivalent AgAg8As4 cuboctahedra, edges with eighteen equivalent AgAg8As4 cuboctahedra, faces with eight equivalent AsAg12 cuboctahedra, and faces with twelve equivalent AgAg8As4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgAs by Materials Project

Ag(As) is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Ag1+ and eight equivalent As1- atoms to form AgAg4As8 cuboctahedra that share corners with eight equivalent AsAg8As4 cuboctahedra, corners with ten equivalent AgAg4As8 cuboctahedra, edges with six equivalent AgAg4As8 cuboctahedra, edges with twelve equivalent AsAg8As4 cuboctahedra, faces with eight equivalent AsAg8As4 cuboctahedra, and faces with twelve equivalent AgAg4As8 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.02 Å) Ag–Ag bond lengths. There are four shorter (2.98 Å) and four longer (3.03 Å) Ag–As bond lengths. As1- is bonded to eight equivalent Ag1+ and four equivalent As1- atoms to form distorted AsAg8As4 cuboctahedra that share corners with eight equivalent AgAg4As8 cuboctahedra, corners with ten equivalent AsAg8As4 cuboctahedra, edges with six equivalent AsAg8As4 cuboctahedra, edges with twelve equivalent AgAg4As8 cuboctahedra, faces with eight equivalent AgAg4As8 cuboctahedra, and faces with twelve equivalent AsAg8As4 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.03 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3As by Materials Project

Ag3As is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to eight Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with twelve equivalent AgAg8As4 cuboctahedra, edges with eight equivalent AsAg12 cuboctahedra, edges with sixteen AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with fourteen AgAg8As4 cuboctahedra. There are four shorter (2.96 Å) and four longer (2.97 Å) Ag–Ag bond lengths. All Ag–As bond lengths are 2.96 Å. In the second Ag1+ site, Ag1+ is bonded to eight equivalent Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent AgAg8As4 cuboctahedra, corners with eight equivalent AsAg12 cuboctahedra, edges with twenty-four AgAg8As4 cuboctahedra, faces with six equivalent AsAg12 cuboctahedra, and faces with twelve AgAg8As4 cuboctahedra. All Ag–As bond lengths are 2.97 Å. As3- is bonded to twelve Ag1+ atoms to form AsAg12 cuboctahedra that share corners with four equivalent AsAg12 cuboctahedra, corners with eight equivalent AgAg8As4 cuboctahedra, edges with eight equivalent AsAg12 cuboctahedra, edges with sixteen equivalent AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with fourteen AgAg8As4 cuboctahedra.

36 MATERIALS SCIENCE↗