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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg5Zn by Materials Project

Mg5Zn 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 to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with twelve MgMg9Zn3 cuboctahedra, and faces with seventeen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.17 Å. Both Mg–Zn bond lengths are 3.01 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.16 Å. There are two shorter (3.07 Å) and one longer (3.16 Å) Mg–Zn bond lengths. In the third Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.24 Å. Both Mg–Zn bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded to eleven Mg and one Zn atom to form a mixture of distorted face, edge, and corner-sharing MgMg11Zn cuboctahedra. There are two shorter (3.11 Å) and two longer (3.16 Å) Mg–Mg bond lengths. The Mg–Zn bond length is 3.02 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg10Zn2 cuboctahedra. Both Mg–Mg bond lengths are 3.16 Å. Both Mg–Zn bond lengths are 3.09 Å. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Zn by Materials Project

Mg5Zn 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 ten MgMg10Zn2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.18 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.15 Å. All Mg–Zn bond lengths are 3.08 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg10Zn2 cuboctahedra. There are four shorter (3.08 Å) and two longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Zn bond lengths are 3.06 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with twelve MgMg10Zn2 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.15 Å) and two longer (3.29 Å) Mg–Mg bond lengths. Both Mg–Zn bond lengths are 3.05 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with twelve MgMg10Zn2 cuboctahedra, edges with fifteen MgMg8Zn4 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.15 Å. Both Mg–Zn bond lengths are 3.02 Å. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Zn by Materials Project

Mg5Zn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Mg and three equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing MgMg3Zn3 cuboctahedra. All Mg–Mg bond lengths are 3.26 Å. All Mg–Zn bond lengths are 2.92 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg3Zn3 cuboctahedra, edges with eighteen MgMg3Zn3 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. There are six shorter (3.11 Å) and three longer (3.21 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg3Zn3 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, and faces with twenty MgMg3Zn3 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Zn by Materials Project

Mg5Zn is beta-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are ten inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with four equivalent ZnMg12 cuboctahedra, edges with fourteen MgMg10Zn2 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.01–3.24 Å. Both Mg–Zn bond lengths are 3.21 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with six equivalent ZnMg12 cuboctahedra, corners with twelve MgMg9Zn3 cuboctahedra, edges with eighteen MgMg10Zn2 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are three shorter (3.04 Å) and three longer (3.24 Å) Mg–Mg bond lengths. All Mg–Zn bond lengths are 3.04 Å. In the third Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with six equivalent ZnMg12 cuboctahedra, corners with twelve MgMg9Zn3 cuboctahedra, edges with eighteen MgMg10Zn2 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. All Mg–Mg bond lengths are 3.21 Å. All Mg–Zn bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with four equivalent ZnMg12 cuboctahedra, edges with fourteen MgMg9Zn3 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.01–3.21 Å. Both Mg–Zn bond lengths are 3.21 Å. In the fifth Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with six equivalent ZnMg12 cuboctahedra, corners with twelve MgMg9Zn3 cuboctahedra, edges with eighteen MgMg10Zn2 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.24 Å. All Mg–Zn bond lengths are 3.04 Å. In the sixth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with four equivalent ZnMg12 cuboctahedra, edges with fourteen MgMg9Zn3 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are two shorter (3.01 Å) and one longer (3.08 Å) Mg–Mg bond lengths. Both Mg–Zn bond lengths are 3.21 Å. In the seventh Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with four equivalent ZnMg12 cuboctahedra, edges with fourteen MgMg9Zn3 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. Both Mg–Zn bond lengths are 3.21 Å. In the eighth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with four equivalent ZnMg12 cuboctahedra, edges with fourteen MgMg9Zn3 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.01–3.24 Å. Both Mg–Zn bond lengths are 3.21 Å. In the ninth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with four equivalent ZnMg12 cuboctahedra, edges with fourteen MgMg9Zn3 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.01–3.24 Å. Both Mg–Zn bond lengths are 3.21 Å. In the tenth Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with six equivalent ZnMg12 cuboctahedra, corners with twelve MgMg9Zn3 cuboctahedra, edges with eighteen MgMg10Zn2 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are three shorter (3.04 Å) and one longer (3.24 Å) Mg–Mg bond lengths. All Mg–Zn bond lengths are 3.04 Å. Zn is bonded to twelve Mg atoms to form ZnMg12 cuboctahedra that share corners with six equivalent ZnMg12 cuboctahedra, corners with twelve MgMg9Zn3 cuboctahedra, edges with six equivalent ZnMg12 cuboctahedra, edges with twelve MgMg10Zn2 cuboctahedra, and faces with twenty MgMg10Zn2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Zn by Materials Project

Mg5Zn 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 ten Mg and two equivalent Zn atoms to form MgMg10Zn2 cuboctahedra that share corners with eighteen equivalent MgMg10Zn2 cuboctahedra, edges with four equivalent ZnMg12 cuboctahedra, edges with fourteen MgMg10Zn2 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.13 Å. Both Mg–Zn bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with nine equivalent MgMg9Zn3 cuboctahedra, corners with nine equivalent ZnMg12 cuboctahedra, edges with eighteen MgMg10Zn2 cuboctahedra, faces with three equivalent ZnMg12 cuboctahedra, and faces with seventeen MgMg10Zn2 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. All Mg–Zn bond lengths are 3.09 Å. Zn is bonded to twelve Mg atoms to form ZnMg12 cuboctahedra that share corners with eighteen equivalent MgMg9Zn3 cuboctahedra, edges with six equivalent ZnMg12 cuboctahedra, edges with twelve equivalent MgMg10Zn2 cuboctahedra, faces with two equivalent ZnMg12 cuboctahedra, and faces with eighteen MgMg10Zn2 cuboctahedra.

36 MATERIALS SCIENCE↗