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DOE OSTI2020

Materials Data on Ag3Ge by Materials Project

Ag3Ge is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a distorted body-centered cubic geometry to four equivalent Ag and four equivalent Ge atoms. All Ag–Ag bond lengths are 2.87 Å. All Ag–Ge bond lengths are 2.87 Å. In the second Ag site, Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3Ge by Materials Project

Ag3Ge crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with twelve equivalent GeAg6Ge6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent GeAg6Ge6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.99 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to nine Ag and three equivalent Ge atoms to form AgAg9Ge3 cuboctahedra that share corners with eighteen equivalent AgAg9Ge3 cuboctahedra, edges with six equivalent GeAg6Ge6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent GeAg6Ge6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å. All Ag–Ge bond lengths are 2.92 Å. Ge is bonded to six equivalent Ag and six equivalent Ge atoms to form GeAg6Ge6 cuboctahedra that share corners with six equivalent GeAg6Ge6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent GeAg6Ge6 cuboctahedra, edges with twelve equivalent AgAg9Ge3 cuboctahedra, faces with six equivalent GeAg6Ge6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ge–Ge bond lengths are 2.99 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgGe3 by Materials Project

AgGe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag is bonded to twelve Ge atoms to form AgGe12 cuboctahedra that share corners with four equivalent AgGe12 cuboctahedra, corners with eight equivalent GeAg4Ge8 cuboctahedra, edges with eight equivalent AgGe12 cuboctahedra, edges with sixteen equivalent GeAg4Ge8 cuboctahedra, faces with four equivalent AgGe12 cuboctahedra, and faces with fourteen GeAg4Ge8 cuboctahedra. There are four shorter (2.97 Å) and eight longer (3.07 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Ag and eight Ge atoms to form GeAg4Ge8 cuboctahedra that share corners with twelve equivalent GeAg4Ge8 cuboctahedra, edges with eight equivalent AgGe12 cuboctahedra, edges with sixteen GeAg4Ge8 cuboctahedra, faces with four equivalent AgGe12 cuboctahedra, and faces with fourteen GeAg4Ge8 cuboctahedra. There are four shorter (2.97 Å) and four longer (3.07 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Ag and eight equivalent Ge atoms to form distorted GeAg4Ge8 cuboctahedra that share corners with four equivalent GeAg4Ge8 cuboctahedra, corners with eight equivalent AgGe12 cuboctahedra, edges with twenty-four GeAg4Ge8 cuboctahedra, faces with six equivalent AgGe12 cuboctahedra, and faces with twelve GeAg4Ge8 cuboctahedra.

36 MATERIALS SCIENCE↗