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DOE OSTI2020

Materials Data on NaMgPb2 by Materials Project

NaMgPb2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Na–Pb bond lengths are 3.30 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Mg–Pb bond lengths are 3.30 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Mg atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Na2MgPb by Materials Project

Na2MgPb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a 11-coordinate geometry to four equivalent Na, three equivalent Mg, and four equivalent Pb atoms. There are three shorter (3.40 Å) and one longer (3.46 Å) Na–Na bond lengths. All Na–Mg bond lengths are 3.44 Å. There are one shorter (3.37 Å) and three longer (3.44 Å) Na–Pb bond lengths. Mg is bonded in a distorted trigonal planar geometry to six equivalent Na and three equivalent Pb atoms. All Mg–Pb bond lengths are 2.97 Å. Pb is bonded in a 11-coordinate geometry to eight equivalent Na and three equivalent Mg atoms.

36 MATERIALS SCIENCE↗