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Materials Data on MgAg4 by Materials Project

MgAg4 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 2.89 Å. There are two 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 corner and edge-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 three equivalent MgAg6 cuboctahedra, corners with fifteen AgMg3Ag3 cuboctahedra, edges with three equivalent MgAg6 cuboctahedra, edges with twenty-one AgMg3Ag3 cuboctahedra, and faces with twelve equivalent AgAg12 cuboctahedra. There are three shorter (2.90 Å) and six longer (3.02 Å) Ag–Ag bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on ErMgAg by Materials Project

MgErAg crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ag atoms to form a mixture of distorted edge and corner-sharing MgAg4 tetrahedra. There are two shorter (2.83 Å) and two longer (2.90 Å) Mg–Ag bond lengths. In the second Mg site, Mg is bonded to four Ag atoms to form a mixture of distorted edge and corner-sharing MgAg4 tetrahedra. There are two shorter (2.83 Å) and two longer (2.90 Å) Mg–Ag bond lengths. There are two inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to five Ag atoms. There are four shorter (3.12 Å) and one longer (3.13 Å) Er–Ag bond lengths. In the second Er site, Er is bonded in a 5-coordinate geometry to five Ag atoms. All Er–Ag bond lengths are 3.12 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to three Mg and six Er atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to six Mg and three Er atoms.

36 MATERIALS SCIENCE↗

Materials Data on EuMgAg by Materials Project

EuAgMg crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded to four equivalent Ag atoms to form a mixture of distorted edge and corner-sharing MgAg4 tetrahedra. There are a spread of Mg–Ag bond distances ranging from 2.90–3.00 Å. Eu is bonded in a 5-coordinate geometry to five equivalent Ag atoms. There are three shorter (3.27 Å) and two longer (3.34 Å) Eu–Ag bond lengths. Ag is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Eu atoms.

36 MATERIALS SCIENCE↗

Materials Data on YbMgAg by Materials Project

YbAgMg crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded to four equivalent Ag atoms to form a mixture of distorted edge and corner-sharing MgAg4 tetrahedra. There are a spread of Mg–Ag bond distances ranging from 2.87–2.91 Å. Yb is bonded in a 5-coordinate geometry to five equivalent Ag atoms. There are four shorter (3.19 Å) and one longer (3.21 Å) Yb–Ag bond lengths. Ag is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Yb atoms.

36 MATERIALS SCIENCE↗