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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CdAg3 by Materials Project

Ag3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with four equivalent CdAg12 cuboctahedra, corners with fourteen equivalent AgCd4Ag8 cuboctahedra, edges with six equivalent CdAg12 cuboctahedra, edges with twelve equivalent AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with sixteen equivalent AgCd4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.95–2.99 Å. There are two shorter (2.97 Å) and two longer (2.99 Å) Ag–Cd bond lengths. Cd is bonded to twelve equivalent Ag atoms to form CdAg12 cuboctahedra that share corners with six equivalent CdAg12 cuboctahedra, corners with twelve equivalent AgCd4Ag8 cuboctahedra, edges with eighteen equivalent AgCd4Ag8 cuboctahedra, faces with eight equivalent CdAg12 cuboctahedra, and faces with twelve equivalent AgCd4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdAg3 by Materials Project

Ag3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with twelve equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with fourteen AgCd4Ag8 cuboctahedra. There are four shorter (2.96 Å) and four longer (2.99 Å) Ag–Ag bond lengths. All Ag–Cd bond lengths are 2.99 Å. In the second Ag site, Ag is bonded to eight equivalent Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with four equivalent AgCd4Ag8 cuboctahedra, corners with eight equivalent CdAg12 cuboctahedra, edges with twenty-four AgCd4Ag8 cuboctahedra, faces with six equivalent CdAg12 cuboctahedra, and faces with twelve AgCd4Ag8 cuboctahedra. All Ag–Cd bond lengths are 2.96 Å. Cd is bonded to twelve Ag atoms to form CdAg12 cuboctahedra that share corners with four equivalent CdAg12 cuboctahedra, corners with eight equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen equivalent AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with fourteen AgCd4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdAg3 by Materials Project

Ag3Cd crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Ag sites. In the first Ag site, Ag is bonded to nine Ag and three equivalent Cd atoms to form AgCd3Ag9 cuboctahedra that share corners with twelve equivalent AgCd3Ag9 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with eighteen AgCd3Ag9 cuboctahedra, faces with six equivalent CdCd6Ag6 cuboctahedra, and faces with twelve AgCd3Ag9 cuboctahedra. There are three shorter (2.93 Å) and six longer (3.01 Å) Ag–Ag bond lengths. All Ag–Cd bond lengths are 2.99 Å. In the second Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with six equivalent CdCd6Ag6 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with eighteen AgCd3Ag9 cuboctahedra, and faces with eighteen AgCd3Ag9 cuboctahedra. All Ag–Ag bond lengths are 3.01 Å. In the third Ag site, Ag is bonded to nine Ag and three equivalent Cd atoms to form AgCd3Ag9 cuboctahedra that share corners with seventeen AgCd3Ag9 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with sixteen AgCd3Ag9 cuboctahedra, faces with six equivalent CdCd6Ag6 cuboctahedra, and faces with fifteen AgCd3Ag9 cuboctahedra. There are three shorter (2.93 Å) and six longer (3.01 Å) Ag–Ag bond lengths. All Ag–Cd bond lengths are 2.99 Å. In the fourth Ag site, Ag is bonded to sixteen Ag atoms to form AgAg16 cuboctahedra that share corners with six equivalent CdCd6Ag6 cuboctahedra, corners with sixteen AgCd3Ag9 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with eighteen AgCd3Ag9 cuboctahedra, and faces with thirty-four AgCd3Ag9 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.93–6.02 Å. In the fifth Ag site, Ag is bonded to nine Ag and three equivalent Cd atoms to form AgCd3Ag9 cuboctahedra that share corners with seventeen AgCd3Ag9 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with sixteen AgCd3Ag9 cuboctahedra, faces with six equivalent CdCd6Ag6 cuboctahedra, and faces with fifteen AgAg16 cuboctahedra. All Ag–Ag bond lengths are 3.01 Å. All Ag–Cd bond lengths are 2.99 Å. Cd is bonded to six equivalent Ag and six equivalent Cd atoms to form CdCd6Ag6 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with six equivalent CdCd6Ag6 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with eighteen AgCd3Ag9 cuboctahedra, faces with six equivalent CdCd6Ag6 cuboctahedra, and faces with twelve equivalent AgCd3Ag9 cuboctahedra. All Cd–Cd bond lengths are 3.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdAg3 by Materials Project

Ag3Cd 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 Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with twelve equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen equivalent AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with fourteen equivalent AgCd4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.98 Å. All Ag–Cd bond lengths are 2.98 Å. Cd is bonded to twelve equivalent Ag atoms to form CdAg12 cuboctahedra that share corners with twelve equivalent CdAg12 cuboctahedra, edges with twenty-four equivalent AgCd4Ag8 cuboctahedra, faces with six equivalent CdAg12 cuboctahedra, and faces with twelve equivalent AgCd4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗