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Materials Data on MgAg2 by Materials Project

AgAgMg is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of Mg–Ag bond distances ranging from 3.17–3.28 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent Mg and six equivalent Ag atoms to form a mixture of corner, edge, and face-sharing AgMg6Ag6 cuboctahedra. All Ag–Ag bond lengths are 2.77 Å. In the second Ag site, Ag is bonded to six equivalent Mg and six Ag atoms to form a mixture of corner, edge, and face-sharing AgMg6Ag6 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.88 Å) Ag–Ag bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Mg2Ag by Materials Project

Mg2Ag crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Ag atoms. There are two shorter (2.85 Å) and two longer (3.14 Å) Mg–Ag bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Ag atoms. There are two shorter (2.98 Å) and four longer (3.00 Å) Mg–Ag bond lengths. Ag is bonded in a 12-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg5Ag by Materials Project

Mg5Ag crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Ag atoms to form distorted MgMg9Ag3 cuboctahedra that share corners with nine equivalent MgMg9Ag3 cuboctahedra, corners with nine equivalent AgMg12 cuboctahedra, edges with eighteen MgMg9Ag3 cuboctahedra, faces with three equivalent AgMg12 cuboctahedra, and faces with seventeen MgMg9Ag3 cuboctahedra. There are six shorter (3.09 Å) and three longer (3.11 Å) Mg–Mg bond lengths. All Mg–Ag bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ag atoms to form distorted MgMg10Ag2 cuboctahedra that share corners with eighteen equivalent MgMg10Ag2 cuboctahedra, edges with four equivalent AgMg12 cuboctahedra, edges with fourteen MgMg9Ag3 cuboctahedra, faces with four equivalent AgMg12 cuboctahedra, and faces with sixteen MgMg9Ag3 cuboctahedra. There are two shorter (3.02 Å) and four longer (3.16 Å) Mg–Mg bond lengths. Both Mg–Ag bond lengths are 3.04 Å. Ag is bonded to twelve Mg atoms to form AgMg12 cuboctahedra that share corners with eighteen equivalent MgMg9Ag3 cuboctahedra, edges with six equivalent AgMg12 cuboctahedra, edges with twelve equivalent MgMg10Ag2 cuboctahedra, faces with two equivalent AgMg12 cuboctahedra, and faces with eighteen MgMg9Ag3 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg5Ag by Materials Project

Mg5Ag crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 150 degrees geometry to four equivalent Mg and two equivalent Ag atoms. There are two shorter (3.09 Å) and two longer (3.10 Å) Mg–Mg bond lengths. Both Mg–Ag bond lengths are 3.08 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ag atoms to form distorted MgMg9Ag3 cuboctahedra that share corners with six equivalent AgMg12 cuboctahedra, corners with twelve equivalent MgMg9Ag3 cuboctahedra, edges with six equivalent MgMg9Ag3 cuboctahedra, faces with four equivalent MgMg9Ag3 cuboctahedra, and faces with four equivalent AgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.13 Å. All Mg–Ag bond lengths are 3.13 Å. Ag is bonded to twelve Mg atoms to form AgMg12 cuboctahedra that share corners with six equivalent AgMg12 cuboctahedra, corners with twelve equivalent MgMg9Ag3 cuboctahedra, edges with six equivalent AgMg12 cuboctahedra, and faces with eight equivalent MgMg9Ag3 cuboctahedra.

36 MATERIALS SCIENCE↗