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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfMg3 by Materials Project

Mg3Hf is Magnesium-derived 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 Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with four equivalent HfMg12 cuboctahedra, corners with fourteen equivalent MgHf4Mg8 cuboctahedra, edges with six equivalent HfMg12 cuboctahedra, edges with twelve equivalent MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with sixteen equivalent MgHf4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.18 Å. There are two shorter (3.10 Å) and two longer (3.16 Å) Mg–Hf bond lengths. Hf is bonded to twelve equivalent Mg atoms to form HfMg12 cuboctahedra that share corners with six equivalent HfMg12 cuboctahedra, corners with twelve equivalent MgHf4Mg8 cuboctahedra, edges with eighteen equivalent MgHf4Mg8 cuboctahedra, faces with eight equivalent HfMg12 cuboctahedra, and faces with twelve equivalent MgHf4Mg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg3 by Materials Project

Mg3Hf 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 atoms. All Mg–Mg bond lengths are 3.05 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Hf atoms. All Mg–Hf bond lengths are 3.05 Å. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg3 by Materials Project

Mg3Hf is Copper-derived 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 Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with four equivalent MgHf4Mg8 cuboctahedra, corners with eight equivalent HfMg12 cuboctahedra, edges with twenty-four MgHf4Mg8 cuboctahedra, faces with six equivalent HfMg12 cuboctahedra, and faces with twelve MgHf4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. All Mg–Hf bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with twelve equivalent MgHf4Mg8 cuboctahedra, edges with eight equivalent HfMg12 cuboctahedra, edges with sixteen MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with fourteen MgHf4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. All Mg–Hf bond lengths are 3.16 Å. Hf is bonded to twelve Mg atoms to form HfMg12 cuboctahedra that share corners with four equivalent HfMg12 cuboctahedra, corners with eight equivalent MgHf4Mg8 cuboctahedra, edges with eight equivalent HfMg12 cuboctahedra, edges with sixteen equivalent MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with fourteen MgHf4Mg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg3 by Materials Project

Mg3Hf 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 Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with twelve equivalent MgHf4Mg8 cuboctahedra, edges with eight equivalent HfMg12 cuboctahedra, edges with sixteen equivalent MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with fourteen equivalent MgHf4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.13 Å. All Mg–Hf bond lengths are 3.13 Å. Hf is bonded to twelve equivalent Mg atoms to form HfMg12 cuboctahedra that share corners with twelve equivalent HfMg12 cuboctahedra, edges with twenty-four equivalent MgHf4Mg8 cuboctahedra, faces with six equivalent HfMg12 cuboctahedra, and faces with twelve equivalent MgHf4Mg8 cuboctahedra.

36 MATERIALS SCIENCE↗