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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg2Zn by Materials Project

Mg2Zn crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mg2Zn sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Zn atoms to form a mixture of distorted edge and corner-sharing MgZn3 cuboctahedra. There are one shorter (2.84 Å) and two longer (2.92 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to four equivalent Zn atoms to form distorted MgZn4 cuboctahedra that share corners with eight equivalent MgZn3 cuboctahedra, edges with six MgZn3 cuboctahedra, and a faceface with one MgZn4 cuboctahedra. There are two shorter (2.90 Å) and two longer (2.95 Å) Mg–Zn bond lengths. Zn is bonded in a 7-coordinate geometry to seven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Zn by Materials Project

Mg2Zn 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 to six Mg and six equivalent Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with twelve MgMg8Zn4 cuboctahedra, edges with eleven equivalent MgMg8Zn4 cuboctahedra, and faces with fourteen MgMg6Zn6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.12 Å. There are two shorter (3.01 Å) and four longer (3.03 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing MgMg8Zn4 cuboctahedra. There are four shorter (3.00 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are two shorter (2.97 Å) and two longer (3.01 Å) Mg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗