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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg3Cd by Materials Project

Mg3Cd 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 Cd atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with four equivalent CdMg12 cuboctahedra, corners with fourteen equivalent MgMg8Cd4 cuboctahedra, edges with six equivalent CdMg12 cuboctahedra, edges with twelve equivalent MgMg8Cd4 cuboctahedra, faces with four equivalent CdMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Cd4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.17 Å. There are two shorter (3.14 Å) and two longer (3.16 Å) Mg–Cd bond lengths. Cd is bonded to twelve equivalent Mg atoms to form CdMg12 cuboctahedra that share corners with six equivalent CdMg12 cuboctahedra, corners with twelve equivalent MgMg8Cd4 cuboctahedra, edges with eighteen equivalent MgMg8Cd4 cuboctahedra, faces with eight equivalent CdMg12 cuboctahedra, and faces with twelve equivalent MgMg8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Cd by Materials Project

Mg3Cd 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 Cd atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with four equivalent CdMg10Cd2 cuboctahedra, corners with fourteen equivalent MgMg8Cd4 cuboctahedra, edges with four equivalent CdMg10Cd2 cuboctahedra, edges with fourteen MgMg8Cd4 cuboctahedra, faces with six equivalent CdMg10Cd2 cuboctahedra, and faces with fourteen MgMg8Cd4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.20 Å. There are two shorter (3.11 Å) and two longer (3.14 Å) Mg–Cd bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Cd atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with eighteen equivalent MgMg9Cd3 cuboctahedra, edges with six equivalent CdMg10Cd2 cuboctahedra, edges with twelve MgMg8Cd4 cuboctahedra, faces with six equivalent CdMg10Cd2 cuboctahedra, and faces with fourteen MgMg8Cd4 cuboctahedra. There are four shorter (3.13 Å) and two longer (3.20 Å) Mg–Mg bond lengths. All Mg–Cd bond lengths are 3.15 Å. Cd is bonded to ten Mg and two equivalent Cd atoms to form distorted CdMg10Cd2 cuboctahedra that share corners with four equivalent MgMg8Cd4 cuboctahedra, corners with fourteen equivalent CdMg10Cd2 cuboctahedra, edges with two equivalent CdMg10Cd2 cuboctahedra, edges with sixteen MgMg8Cd4 cuboctahedra, faces with two equivalent CdMg10Cd2 cuboctahedra, and faces with eighteen MgMg8Cd4 cuboctahedra. Both Cd–Cd bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Cd by Materials Project

Mg3Cd 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 MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve equivalent CdMg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent CdMg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.24 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Cd atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with six equivalent CdMg6 cuboctahedra, corners with eighteen equivalent MgMg9Cd3 cuboctahedra, edges with six equivalent CdMg6 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Cd bond lengths are 3.06 Å. Cd is bonded to six equivalent Mg atoms to form distorted CdMg6 cuboctahedra that share corners with twenty-four MgMg12 cuboctahedra, edges with six equivalent CdMg6 cuboctahedra, edges with twelve equivalent MgMg9Cd3 cuboctahedra, and faces with two equivalent MgMg12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Cd by Materials Project

Mg3Cd 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 Cd atoms to form MgMg8Cd4 cuboctahedra that share corners with four equivalent MgMg8Cd4 cuboctahedra, corners with eight equivalent CdMg12 cuboctahedra, edges with twenty-four MgMg8Cd4 cuboctahedra, faces with six equivalent CdMg12 cuboctahedra, and faces with twelve MgMg8Cd4 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. All Mg–Cd bond lengths are 3.24 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Cd atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with twelve equivalent MgMg8Cd4 cuboctahedra, edges with eight equivalent CdMg12 cuboctahedra, edges with sixteen MgMg8Cd4 cuboctahedra, faces with four equivalent CdMg12 cuboctahedra, and faces with fourteen MgMg8Cd4 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Cd bond lengths are 3.11 Å. Cd is bonded to twelve Mg atoms to form CdMg12 cuboctahedra that share corners with four equivalent CdMg12 cuboctahedra, corners with eight equivalent MgMg8Cd4 cuboctahedra, edges with eight equivalent CdMg12 cuboctahedra, edges with sixteen equivalent MgMg8Cd4 cuboctahedra, faces with four equivalent CdMg12 cuboctahedra, and faces with fourteen MgMg8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Cd by Materials Project

Mg3Cd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Cd atoms. All Mg–Mg bond lengths are 3.06 Å. All Mg–Cd bond lengths are 3.54 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Mg–Cd bond lengths are 3.06 Å. Cd is bonded in a body-centered cubic geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗