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Materials Data on Mg3Ga by Materials Project

Mg3Ga 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 Ga atoms to form distorted MgMg8Ga4 cuboctahedra that share corners with twelve equivalent MgMg8Ga4 cuboctahedra, edges with eight equivalent GaMg12 cuboctahedra, edges with sixteen equivalent MgMg8Ga4 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Ga4 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. All Mg–Ga bond lengths are 3.08 Å. Ga is bonded to twelve equivalent Mg atoms to form GaMg12 cuboctahedra that share corners with twelve equivalent GaMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Ga4 cuboctahedra, faces with six equivalent GaMg12 cuboctahedra, and faces with twelve equivalent MgMg8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg3Ga by Materials Project

Mg3Ga is beta Cu3Ti-like 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 Ga atoms to form distorted MgMg8Ga4 cuboctahedra that share corners with four equivalent MgMg8Ga4 cuboctahedra, corners with eight equivalent GaMg12 cuboctahedra, edges with twenty-four MgMg8Ga4 cuboctahedra, faces with six equivalent GaMg12 cuboctahedra, and faces with twelve MgMg8Ga4 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. All Mg–Ga bond lengths are 3.09 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ga atoms to form distorted MgMg8Ga4 cuboctahedra that share corners with twelve equivalent MgMg8Ga4 cuboctahedra, edges with eight equivalent GaMg12 cuboctahedra, edges with sixteen MgMg8Ga4 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with fourteen MgMg8Ga4 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. All Mg–Ga bond lengths are 3.09 Å. Ga is bonded to twelve Mg atoms to form GaMg12 cuboctahedra that share corners with four equivalent GaMg12 cuboctahedra, corners with eight equivalent MgMg8Ga4 cuboctahedra, edges with eight equivalent GaMg12 cuboctahedra, edges with sixteen equivalent MgMg8Ga4 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with fourteen MgMg8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg3Ga by Materials Project

Mg3Ga is Uranium Silicide-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 Ga atoms to form distorted MgMg8Ga4 cuboctahedra that share corners with four equivalent GaMg12 cuboctahedra, corners with fourteen equivalent MgMg8Ga4 cuboctahedra, edges with six equivalent GaMg12 cuboctahedra, edges with twelve equivalent MgMg8Ga4 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.06–3.14 Å. There are two shorter (3.04 Å) and two longer (3.10 Å) Mg–Ga bond lengths. Ga is bonded to twelve equivalent Mg atoms to form GaMg12 cuboctahedra that share corners with six equivalent GaMg12 cuboctahedra, corners with twelve equivalent MgMg8Ga4 cuboctahedra, edges with eighteen equivalent MgMg8Ga4 cuboctahedra, faces with eight equivalent GaMg12 cuboctahedra, and faces with twelve equivalent MgMg8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg3Ga by Materials Project

Mg3Ga 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 Ga atoms to form distorted MgMg8Ga4 cuboctahedra that share corners with eight equivalent GaMg10 cuboctahedra, corners with fourteen equivalent MgMg8Ga4 cuboctahedra, edges with fourteen MgMg8Ga4 cuboctahedra, faces with six equivalent GaMg10 cuboctahedra, and faces with fourteen MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.12 Å. There are two shorter (3.08 Å) and two longer (3.09 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ga atoms to form distorted MgMg9Ga3 cuboctahedra that share corners with two equivalent GaMg10 cuboctahedra, corners with eighteen equivalent MgMg9Ga3 cuboctahedra, edges with four equivalent GaMg10 cuboctahedra, edges with twelve MgMg8Ga4 cuboctahedra, faces with six equivalent GaMg10 cuboctahedra, and faces with fourteen MgMg8Ga4 cuboctahedra. There are two shorter (3.08 Å) and four longer (3.09 Å) Mg–Mg bond lengths. There are two shorter (3.09 Å) and one longer (3.12 Å) Mg–Ga bond lengths. Ga is bonded to ten Mg atoms to form distorted GaMg10 cuboctahedra that share corners with twelve MgMg8Ga4 cuboctahedra, corners with twelve equivalent GaMg10 cuboctahedra, edges with two equivalent GaMg10 cuboctahedra, edges with eight equivalent MgMg9Ga3 cuboctahedra, faces with two equivalent GaMg10 cuboctahedra, and faces with eighteen MgMg8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg3Ga by Materials Project

Mg3Ga 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 corner, edge, and face-sharing MgMg12 cuboctahedra. There are six shorter (3.11 Å) and six longer (3.17 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Mg and three equivalent Ga atoms to form distorted MgMg3Ga3 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with two equivalent MgMg3Ga3 cuboctahedra. All Mg–Ga bond lengths are 3.00 Å. Ga is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗