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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgAg3 by Materials Project

Ag3Mg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ag atoms to form MgAg12 cuboctahedra that share corners with twelve equivalent MgAg12 cuboctahedra, edges with twenty-four equivalent AgMg4Ag8 cuboctahedra, faces with six equivalent MgAg12 cuboctahedra, and faces with twelve equivalent AgMg4Ag8 cuboctahedra. All Mg–Ag bond lengths are 2.95 Å. Ag is bonded to four equivalent Mg and eight equivalent Ag atoms to form distorted AgMg4Ag8 cuboctahedra that share corners with twelve equivalent AgMg4Ag8 cuboctahedra, edges with eight equivalent MgAg12 cuboctahedra, edges with sixteen equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with fourteen equivalent AgMg4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.95 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgAg3 by Materials Project

Ag3Mg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ag atoms to form MgAg12 cuboctahedra that share corners with six equivalent MgAg12 cuboctahedra, corners with twelve equivalent AgMg4Ag8 cuboctahedra, edges with eighteen equivalent AgMg4Ag8 cuboctahedra, faces with eight equivalent MgAg12 cuboctahedra, and faces with twelve equivalent AgMg4Ag8 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Mg–Ag bond lengths. Ag is bonded to four equivalent Mg and eight equivalent Ag atoms to form distorted AgMg4Ag8 cuboctahedra that share corners with four equivalent MgAg12 cuboctahedra, corners with fourteen equivalent AgMg4Ag8 cuboctahedra, edges with six equivalent MgAg12 cuboctahedra, edges with twelve equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with sixteen equivalent AgMg4Ag8 cuboctahedra. There are four shorter (2.94 Å) and four longer (2.95 Å) Ag–Ag bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgAg3 by Materials Project

Ag3Mg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Ag atoms to form MgAg12 cuboctahedra that share corners with four equivalent MgAg12 cuboctahedra, edges with eight equivalent MgAg12 cuboctahedra, edges with sixteen equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with eight equivalent AgMg4Ag8 cuboctahedra. There are four shorter (2.90 Å) and eight longer (2.97 Å) Mg–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a distorted square co-planar geometry to four equivalent Mg and eight equivalent Ag atoms. All Ag–Ag bond lengths are 2.97 Å. In the second Ag site, Ag is bonded to four equivalent Mg and eight Ag atoms to form distorted AgMg4Ag8 cuboctahedra that share corners with twelve equivalent AgMg4Ag8 cuboctahedra, edges with eight equivalent MgAg12 cuboctahedra, edges with eight equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with ten equivalent AgMg4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgAg3 by Materials Project

Ag3Mg crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Ag atoms to form distorted MgAg6 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, edges with six equivalent MgAg6 cuboctahedra, and edges with six equivalent AgAg12 cuboctahedra. All Mg–Ag bond lengths are 2.90 Å. There are five inequivalent Ag sites. In the first Ag site, Ag is bonded to three equivalent Mg and three equivalent Ag atoms to form a mixture of distorted edge and corner-sharing AgMg3Ag3 cuboctahedra. All Ag–Ag bond lengths are 2.93 Å. In the second Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with six equivalent MgAg6 cuboctahedra, corners with eighteen AgMg3Ag3 cuboctahedra, edges with six equivalent MgAg6 cuboctahedra, edges with eighteen AgMg3Ag3 cuboctahedra, and faces with six equivalent AgAg12 cuboctahedra. All Ag–Ag bond lengths are 3.04 Å. In the third Ag site, Ag is bonded to three equivalent Mg and three equivalent Ag atoms to form distorted AgMg3Ag3 cuboctahedra that share corners with fourteen AgMg3Ag3 cuboctahedra, edges with twenty AgMg3Ag3 cuboctahedra, and faces with two equivalent AgAg16 cuboctahedra. All Ag–Mg bond lengths are 2.90 Å. All Ag–Ag bond lengths are 2.93 Å. In the fourth Ag site, Ag is bonded to sixteen Ag atoms to form AgAg16 cuboctahedra that share corners with six equivalent MgAg6 cuboctahedra, corners with twenty-two AgMg3Ag3 cuboctahedra, edges with six equivalent MgAg6 cuboctahedra, edges with twenty-six AgMg3Ag3 cuboctahedra, and faces with twenty AgMg3Ag3 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.93–6.08 Å. In the fifth Ag site, Ag is bonded to three equivalent Mg and three equivalent Ag atoms to form distorted AgMg3Ag3 cuboctahedra that share corners with fourteen AgMg3Ag3 cuboctahedra, edges with twenty AgMg3Ag3 cuboctahedra, and faces with two equivalent AgAg16 cuboctahedra. All Ag–Mg bond lengths are 2.90 Å.

36 MATERIALS SCIENCE↗