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Materials Data on Mg30Al24Ag19 by Materials Project

Mg30Ag19Al24 is beta Plutonium-derived structured and crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Ag and four Al atoms. There are a spread of Mg–Ag bond distances ranging from 2.98–3.23 Å. There are a spread of Mg–Al bond distances ranging from 3.02–3.12 Å. In the second Mg site, Mg is bonded in a distorted linear geometry to two Ag atoms. There are one shorter (2.67 Å) and one longer (2.94 Å) Mg–Ag bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two Ag and four equivalent Al atoms. There are one shorter (2.67 Å) and one longer (2.95 Å) Mg–Ag bond lengths. There are two shorter (3.13 Å) and two longer (3.14 Å) Mg–Al bond lengths. In the fourth Mg site, Mg is bonded in a 4-coordinate geometry to four Ag and four equivalent Al atoms. There are two shorter (2.86 Å) and two longer (3.11 Å) Mg–Ag bond lengths. All Mg–Al bond lengths are 3.23 Å. In the fifth Mg site, Mg is bonded in a 2-coordinate geometry to four Ag and eight Al atoms. There are two shorter (2.88 Å) and two longer (3.07 Å) Mg–Ag bond lengths. There are four shorter (3.08 Å) and four longer (3.17 Å) Mg–Al bond lengths. There are six inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to six Mg, two equivalent Ag, and four Al atoms. Both Ag–Ag bond lengths are 2.90 Å. There are two shorter (2.59 Å) and two longer (2.75 Å) Ag–Al bond lengths. In the second Ag site, Ag is bonded in a 12-coordinate geometry to six Mg, one Ag, and five Al atoms. The Ag–Ag bond length is 2.90 Å. There are a spread of Ag–Al bond distances ranging from 2.70–3.24 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to four Mg, one Ag, and seven Al atoms. There are a spread of Ag–Al bond distances ranging from 2.71–3.02 Å. In the fourth Ag site, Ag is bonded in a cuboctahedral geometry to twelve equivalent Mg atoms. In the fifth Ag site, Ag is bonded in a 12-coordinate geometry to two equivalent Mg, two equivalent Ag, and eight Al atoms. There are a spread of Ag–Al bond distances ranging from 2.55–3.08 Å. In the sixth Ag site, Ag is bonded in a cuboctahedral geometry to twelve equivalent Mg atoms. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Mg, five Ag, and three Al atoms. There are one shorter (2.74 Å) and two longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to five Mg, four Ag, and three Al atoms. There are one shorter (2.93 Å) and one longer (3.07 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four Mg, five Ag, and three Al atoms. The Al–Al bond length is 2.68 Å.

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Materials Data on Mg17Al11Ag by Materials Project

Mg17AgAl11 is gamma-brass-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eleven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.15 Å. There are a spread of Mg–Al bond distances ranging from 3.08–3.11 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Ag, and four Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.11–3.15 Å. The Mg–Ag bond length is 2.86 Å. There are two shorter (2.99 Å) and two longer (3.19 Å) Mg–Al bond lengths. In the third Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.17 Å. There are two shorter (3.08 Å) and four longer (3.10 Å) Mg–Al bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are two shorter (3.13 Å) and four longer (3.14 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.90–3.19 Å. In the fifth Mg site, Mg is bonded in a 1-coordinate geometry to four Mg, one Ag, and eleven Al atoms. Both Mg–Mg bond lengths are 3.12 Å. The Mg–Ag bond length is 3.22 Å. There are a spread of Mg–Al bond distances ranging from 3.18–3.22 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, one Ag, and four Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.18 Å. The Mg–Ag bond length is 3.11 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.14 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, one Ag, and four Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.14–3.18 Å. The Mg–Ag bond length is 2.95 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.21 Å. In the eighth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.13–3.17 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.17 Å. In the ninth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg, one Ag, and five Al atoms. There are one shorter (3.05 Å) and one longer (3.06 Å) Mg–Mg bond lengths. The Mg–Ag bond length is 3.08 Å. There are a spread of Mg–Al bond distances ranging from 3.08–3.11 Å. In the tenth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. The Mg–Mg bond length is 3.14 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.18 Å. In the eleventh Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.90–3.17 Å. Ag is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.68 Å) and two longer (2.79 Å) Ag–Al bond lengths. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to eight Mg, one Ag, and two equivalent Al atoms. Both Al–Al bond lengths are 2.77 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.76 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to eight Mg, one Ag, and two Al atoms. There are one shorter (2.70 Å) and one longer (2.72 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.70 Å) and one longer (2.74 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. The Al–Al bond length is 2.77 Å. In the sixth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms.

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Materials Data on MgAlAg2 by Materials Project

MgAg2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Mg–Ag bond lengths are 2.83 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Ag–Al bond lengths are 2.83 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.

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Materials Data on MgAlAg by Materials Project

AgAlMg 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 in a 12-coordinate geometry to four Mg, seven Ag, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.24–3.36 Å. There are a spread of Mg–Ag bond distances ranging from 3.08–3.24 Å. There are a spread of Mg–Al bond distances ranging from 3.13–3.21 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, five Ag, and seven Al atoms. There are one shorter (3.24 Å) and two longer (3.36 Å) Mg–Mg bond lengths. There are a spread of Mg–Ag bond distances ranging from 3.03–3.25 Å. There are a spread of Mg–Al bond distances ranging from 3.11–3.21 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, five Ag, and seven Al atoms. There are one shorter (3.30 Å) and two longer (3.36 Å) Mg–Mg bond lengths. There are a spread of Mg–Ag bond distances ranging from 3.03–3.25 Å. There are a spread of Mg–Al bond distances ranging from 3.11–3.21 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, seven Ag, and five Al atoms. The Mg–Mg bond length is 3.24 Å. There are a spread of Mg–Ag bond distances ranging from 3.08–3.24 Å. There are a spread of Mg–Al bond distances ranging from 3.13–3.21 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, seven Ag, and five Al atoms. There are a spread of Mg–Ag bond distances ranging from 3.08–3.24 Å. There are a spread of Mg–Al bond distances ranging from 3.13–3.21 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to six Mg, two equivalent Ag, and four Al atoms to form distorted AgMg6Al4Ag2 cuboctahedra that share corners with four equivalent AgMg6Al2Ag4 cuboctahedra, corners with four AlMg6Ag6 cuboctahedra, edges with six equivalent AgMg6Al4Ag2 cuboctahedra, faces with six AlMg6Ag6 cuboctahedra, and faces with eight AgMg6Al4Ag2 cuboctahedra. Both Ag–Ag bond lengths are 2.85 Å. There are a spread of Ag–Al bond distances ranging from 2.63–2.69 Å. In the second Ag site, Ag is bonded to six Mg, four Ag, and two equivalent Al atoms to form distorted AgMg6Al2Ag4 cuboctahedra that share corners with four equivalent AlMg6Al4Ag2 cuboctahedra, corners with eight AgMg6Al4Ag2 cuboctahedra, edges with two equivalent AgMg6Al2Ag4 cuboctahedra, faces with six AlMg6Ag6 cuboctahedra, and faces with ten AgMg6Al4Ag2 cuboctahedra. There are one shorter (2.73 Å) and one longer (2.82 Å) Ag–Ag bond lengths. There are one shorter (2.63 Å) and one longer (2.76 Å) Ag–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to six Mg and six Ag atoms to form distorted AlMg6Ag6 cuboctahedra that share corners with four equivalent AgMg6Al4Ag2 cuboctahedra, corners with six AlMg6Ag6 cuboctahedra, edges with six AlMg6Ag6 cuboctahedra, and faces with fourteen AgMg6Al4Ag2 cuboctahedra. In the second Al site, Al is bonded in a 2-coordinate geometry to six Mg, two equivalent Ag, and two equivalent Al atoms. There are one shorter (2.63 Å) and one longer (2.77 Å) Al–Al bond lengths. In the third Al site, Al is bonded to six Mg, two equivalent Ag, and four equivalent Al atoms to form distorted AlMg6Al4Ag2 cuboctahedra that share corners with six AlMg6Ag6 cuboctahedra, corners with twelve AgMg6Al4Ag2 cuboctahedra, edges with six AlMg6Ag6 cuboctahedra, and faces with ten AgMg6Al4Ag2 cuboctahedra.

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