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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg3Zn by Materials Project

Mg3Zn1 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Zn atoms to form MgMg8Zn4 cuboctahedra that share corners with four equivalent MgMg8Zn4 cuboctahedra, corners with eight equivalent ZnMg12 cuboctahedra, edges with twenty-four MgMg8Zn4 cuboctahedra, faces with six equivalent ZnMg12 cuboctahedra, and faces with twelve MgMg8Zn4 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Zn bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with twelve equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg12 cuboctahedra, edges with sixteen MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with fourteen MgMg8Zn4 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. All Mg–Zn bond lengths are 3.03 Å. Zn is bonded to twelve Mg atoms to form ZnMg12 cuboctahedra that share corners with four equivalent ZnMg12 cuboctahedra, corners with eight equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg12 cuboctahedra, edges with sixteen equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with fourteen MgMg8Zn4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Zn by Materials Project

Mg3Zn1 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to three equivalent Mg and three equivalent Zn atoms to form distorted MgMg3Zn3 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with two equivalent MgMg3Zn3 cuboctahedra. All Mg–Zn bond lengths are 2.86 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Zn by Materials Project

Mg3Zn1 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form a mixture of distorted edge, corner, and face-sharing MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.13 Å. There are two shorter (2.98 Å) and two longer (3.11 Å) Mg–Zn bond lengths. 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 eighteen equivalent MgMg9Zn3 cuboctahedra, edges with twelve MgMg8Zn4 cuboctahedra, and faces with fourteen MgMg8Zn4 cuboctahedra. There are four shorter (3.05 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are two shorter (3.01 Å) and one longer (3.12 Å) Mg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Zn by Materials Project

Mg3Zn1 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Zn atoms to form MgMg8Zn4 cuboctahedra that share corners with twelve equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg12 cuboctahedra, edges with sixteen equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Zn4 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. All Mg–Zn bond lengths are 3.08 Å. Zn is bonded to twelve equivalent Mg atoms to form ZnMg12 cuboctahedra that share corners with twelve equivalent ZnMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Zn4 cuboctahedra, faces with six equivalent ZnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Zn4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Zn by Materials Project

Mg3Zn1 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with four equivalent ZnMg12 cuboctahedra, corners with fourteen equivalent MgMg8Zn4 cuboctahedra, edges with six equivalent ZnMg12 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.00–3.13 Å. There are two shorter (3.03 Å) and two longer (3.06 Å) Mg–Zn bond lengths. Zn is bonded to twelve equivalent Mg atoms to form ZnMg12 cuboctahedra that share corners with six equivalent ZnMg12 cuboctahedra, corners with twelve equivalent MgMg8Zn4 cuboctahedra, edges with eighteen equivalent MgMg8Zn4 cuboctahedra, faces with eight equivalent ZnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Zn4 cuboctahedra.

36 MATERIALS SCIENCE↗