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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaMg by Materials Project

NaMg is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Na is bonded to four equivalent Na and eight equivalent Mg atoms to form NaNa4Mg8 cuboctahedra that share corners with eight equivalent MgNa8Mg4 cuboctahedra, corners with ten equivalent NaNa4Mg8 cuboctahedra, edges with six equivalent NaNa4Mg8 cuboctahedra, edges with twelve equivalent MgNa8Mg4 cuboctahedra, faces with eight equivalent MgNa8Mg4 cuboctahedra, and faces with twelve equivalent NaNa4Mg8 cuboctahedra. There are two shorter (3.29 Å) and two longer (3.34 Å) Na–Na bond lengths. There are a spread of Na–Mg bond distances ranging from 3.42–3.60 Å. Mg is bonded to eight equivalent Na and four equivalent Mg atoms to form MgNa8Mg4 cuboctahedra that share corners with eight equivalent NaNa4Mg8 cuboctahedra, corners with ten equivalent MgNa8Mg4 cuboctahedra, edges with six equivalent MgNa8Mg4 cuboctahedra, edges with twelve equivalent NaNa4Mg8 cuboctahedra, faces with eight equivalent NaNa4Mg8 cuboctahedra, and faces with twelve equivalent MgNa8Mg4 cuboctahedra. There are two shorter (3.23 Å) and two longer (3.29 Å) Mg–Mg bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaMg3 by Materials Project

NaMg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve Mg atoms to form NaMg12 cuboctahedra that share corners with six equivalent NaMg12 cuboctahedra, corners with twelve MgNa4Mg8 cuboctahedra, edges with eighteen MgNa4Mg8 cuboctahedra, faces with eight equivalent NaMg12 cuboctahedra, and faces with twelve MgNa4Mg8 cuboctahedra. There are six shorter (3.30 Å) and six longer (3.32 Å) Na–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Na and eight Mg atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with four equivalent NaMg12 cuboctahedra, corners with fourteen MgNa4Mg8 cuboctahedra, edges with six equivalent NaMg12 cuboctahedra, edges with twelve MgNa4Mg8 cuboctahedra, faces with four equivalent NaMg12 cuboctahedra, and faces with sixteen MgNa4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.38 Å. In the second Mg site, Mg is bonded to four equivalent Na and eight equivalent Mg atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with four equivalent NaMg12 cuboctahedra, corners with fourteen MgNa4Mg8 cuboctahedra, edges with six equivalent NaMg12 cuboctahedra, edges with twelve equivalent MgNa4Mg8 cuboctahedra, faces with four equivalent NaMg12 cuboctahedra, and faces with sixteen MgNa4Mg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaMg3 by Materials Project

NaMg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Mg atoms to form NaMg12 cuboctahedra that share corners with four equivalent NaMg12 cuboctahedra, corners with eight equivalent MgNa4Mg8 cuboctahedra, edges with eight equivalent NaMg12 cuboctahedra, edges with sixteen equivalent MgNa4Mg8 cuboctahedra, faces with four equivalent NaMg12 cuboctahedra, and faces with fourteen MgNa4Mg8 cuboctahedra. There are eight shorter (3.28 Å) and four longer (3.34 Å) Na–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Na and eight equivalent Mg atoms to form MgNa4Mg8 cuboctahedra that share corners with four equivalent MgNa4Mg8 cuboctahedra, corners with eight equivalent NaMg12 cuboctahedra, edges with twenty-four MgNa4Mg8 cuboctahedra, faces with six equivalent NaMg12 cuboctahedra, and faces with twelve MgNa4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.28 Å. In the second Mg site, Mg is bonded to four equivalent Na and eight Mg atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with twelve equivalent MgNa4Mg8 cuboctahedra, edges with eight equivalent NaMg12 cuboctahedra, edges with sixteen MgNa4Mg8 cuboctahedra, faces with four equivalent NaMg12 cuboctahedra, and faces with fourteen MgNa4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaMg3 by Materials Project

NaMg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Mg atoms to form NaMg12 cuboctahedra that share corners with twelve equivalent NaMg12 cuboctahedra, edges with twenty-four equivalent MgNa4Mg8 cuboctahedra, faces with six equivalent NaMg12 cuboctahedra, and faces with twelve equivalent MgNa4Mg8 cuboctahedra. All Na–Mg bond lengths are 3.30 Å. Mg is bonded to four equivalent Na and eight equivalent Mg atoms to form MgNa4Mg8 cuboctahedra that share corners with twelve equivalent MgNa4Mg8 cuboctahedra, edges with eight equivalent NaMg12 cuboctahedra, edges with sixteen equivalent MgNa4Mg8 cuboctahedra, faces with four equivalent NaMg12 cuboctahedra, and faces with fourteen equivalent MgNa4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.30 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Mg by Materials Project

Na3Mg is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight equivalent Na and four equivalent Mg atoms to form distorted NaNa8Mg4 cuboctahedra that share corners with four equivalent NaNa8Mg4 cuboctahedra, corners with eight equivalent MgNa12 cuboctahedra, edges with twenty-four NaNa8Mg4 cuboctahedra, faces with six equivalent MgNa12 cuboctahedra, and faces with twelve NaNa8Mg4 cuboctahedra. All Na–Na bond lengths are 3.60 Å. All Na–Mg bond lengths are 3.49 Å. In the second Na site, Na is bonded to eight Na and four equivalent Mg atoms to form NaNa8Mg4 cuboctahedra that share corners with twelve equivalent NaNa8Mg4 cuboctahedra, edges with eight equivalent MgNa12 cuboctahedra, edges with sixteen NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with fourteen NaNa8Mg4 cuboctahedra. All Na–Na bond lengths are 3.49 Å. All Na–Mg bond lengths are 3.60 Å. Mg is bonded to twelve Na atoms to form MgNa12 cuboctahedra that share corners with four equivalent MgNa12 cuboctahedra, corners with eight equivalent NaNa8Mg4 cuboctahedra, edges with eight equivalent MgNa12 cuboctahedra, edges with sixteen equivalent NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with fourteen NaNa8Mg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Mg by Materials Project

Na3Mg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Mg atoms to form distorted NaNa8Mg4 cuboctahedra that share corners with four equivalent MgNa12 cuboctahedra, corners with fourteen equivalent NaNa8Mg4 cuboctahedra, edges with six equivalent MgNa12 cuboctahedra, edges with twelve equivalent NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with sixteen equivalent NaNa8Mg4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.52–3.74 Å. There are two shorter (3.51 Å) and two longer (3.63 Å) Na–Mg bond lengths. Mg is bonded to twelve equivalent Na atoms to form MgNa12 cuboctahedra that share corners with six equivalent MgNa12 cuboctahedra, corners with twelve equivalent NaNa8Mg4 cuboctahedra, edges with eighteen equivalent NaNa8Mg4 cuboctahedra, faces with eight equivalent MgNa12 cuboctahedra, and faces with twelve equivalent NaNa8Mg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Mg by Materials Project

Na3Mg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Mg atoms to form NaNa8Mg4 cuboctahedra that share corners with twelve equivalent NaNa8Mg4 cuboctahedra, edges with eight equivalent MgNa12 cuboctahedra, edges with sixteen equivalent NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Mg4 cuboctahedra. All Na–Na bond lengths are 3.58 Å. All Na–Mg bond lengths are 3.58 Å. Mg is bonded to twelve equivalent Na atoms to form MgNa12 cuboctahedra that share corners with twelve equivalent MgNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Mg4 cuboctahedra, faces with six equivalent MgNa12 cuboctahedra, and faces with twelve equivalent NaNa8Mg4 cuboctahedra.

36 MATERIALS SCIENCE↗