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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg5Ag by Materials Project

Mg5Ag crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with six MgMg8Ag4 cuboctahedra, edges with eight equivalent AgMg10 cuboctahedra, faces with two equivalent AgMg10 cuboctahedra, and faces with eight MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.19 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ag atoms to form distorted MgMg8Ag4 cuboctahedra that share corners with four equivalent AgMg10 cuboctahedra, corners with eighteen MgMg12 cuboctahedra, edges with six MgMg12 cuboctahedra, faces with four equivalent AgMg10 cuboctahedra, and faces with eight MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.17 Å. All Mg–Ag bond lengths are 3.07 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Ag atoms to form distorted MgMg10Ag2 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with six MgMg12 cuboctahedra, faces with six equivalent AgMg10 cuboctahedra, and faces with eight MgMg12 cuboctahedra. There are four shorter (3.06 Å) and two longer (3.17 Å) Mg–Mg bond lengths. Both Mg–Ag bond lengths are 3.05 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and two equivalent Ag atoms. Both Mg–Ag bond lengths are 3.04 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and two equivalent Ag atoms. Both Mg–Ag bond lengths are 3.01 Å. Ag is bonded to ten Mg atoms to form distorted AgMg10 cuboctahedra that share corners with four equivalent MgMg8Ag4 cuboctahedra, corners with four equivalent AgMg10 cuboctahedra, edges with eight equivalent MgMg12 cuboctahedra, faces with four equivalent AgMg10 cuboctahedra, and faces with twelve MgMg12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Ag by Materials Project

Mg5Ag crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and two equivalent Ag atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.15 Å. Both Mg–Ag bond lengths are 2.96 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 six equivalent MgMg10Ag2 cuboctahedra, edges with six equivalent MgMg11Ag cuboctahedra, and faces with five MgMg10Ag2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.24 Å. Both Mg–Ag bond lengths are 3.14 Å. In the third Mg site, Mg is bonded to eleven Mg and one Ag atom to form distorted MgMg11Ag cuboctahedra that share corners with six equivalent MgMg11Ag cuboctahedra, edges with six equivalent MgMg10Ag2 cuboctahedra, and faces with five MgMg10Ag2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.22 Å. The Mg–Ag bond length is 3.07 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and two equivalent Ag atoms. Both Mg–Mg bond lengths are 3.11 Å. Both Mg–Ag bond lengths are 2.96 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three equivalent Ag atoms. Both Mg–Mg bond lengths are 3.22 Å. There are two shorter (2.97 Å) and one longer (3.21 Å) Mg–Ag bond lengths. Ag is bonded in a 12-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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↗
DOE OSTI2020

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↗