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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Na3Np by Materials Project

Na3Np is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Np atoms to form distorted NaNa8Np4 cuboctahedra that share corners with four equivalent NpNa12 cuboctahedra, corners with fourteen NaNa8Np4 cuboctahedra, edges with six equivalent NpNa12 cuboctahedra, edges with twelve NaNa8Np4 cuboctahedra, faces with four equivalent NpNa12 cuboctahedra, and faces with sixteen NaNa8Np4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.53–3.83 Å. All Na–Np bond lengths are 3.68 Å. In the second Na site, Na is bonded to eight Na and four equivalent Np atoms to form distorted NaNa8Np4 cuboctahedra that share corners with four equivalent NpNa12 cuboctahedra, corners with fourteen NaNa8Np4 cuboctahedra, edges with six equivalent NpNa12 cuboctahedra, edges with twelve NaNa8Np4 cuboctahedra, faces with four equivalent NpNa12 cuboctahedra, and faces with sixteen NaNa8Np4 cuboctahedra. Both Na–Na bond lengths are 3.58 Å. All Na–Np bond lengths are 3.68 Å. Np is bonded to twelve Na atoms to form NpNa12 cuboctahedra that share corners with six equivalent NpNa12 cuboctahedra, corners with twelve NaNa8Np4 cuboctahedra, edges with eighteen NaNa8Np4 cuboctahedra, faces with eight equivalent NpNa12 cuboctahedra, and faces with twelve NaNa8Np4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaNp3 by Materials Project

NaNp3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Np atoms to form NaNp12 cuboctahedra that share corners with four equivalent NaNp12 cuboctahedra, corners with eight equivalent NpNa4Np8 cuboctahedra, edges with eight equivalent NaNp12 cuboctahedra, edges with sixteen equivalent NpNa4Np8 cuboctahedra, faces with four equivalent NaNp12 cuboctahedra, and faces with fourteen NpNa4Np8 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.30 Å) Na–Np bond lengths. There are two inequivalent Np sites. In the first Np site, Np is bonded to four equivalent Na and eight Np atoms to form distorted NpNa4Np8 cuboctahedra that share corners with twelve equivalent NpNa4Np8 cuboctahedra, edges with eight equivalent NaNp12 cuboctahedra, edges with sixteen NpNa4Np8 cuboctahedra, faces with four equivalent NaNp12 cuboctahedra, and faces with fourteen NpNa4Np8 cuboctahedra. There are four shorter (3.18 Å) and four longer (3.30 Å) Np–Np bond lengths. In the second Np site, Np is bonded to four equivalent Na and eight equivalent Np atoms to form NpNa4Np8 cuboctahedra that share corners with four equivalent NpNa4Np8 cuboctahedra, corners with eight equivalent NaNp12 cuboctahedra, edges with twenty-four NpNa4Np8 cuboctahedra, faces with six equivalent NaNp12 cuboctahedra, and faces with twelve NpNa4Np8 cuboctahedra.

36 MATERIALS SCIENCE↗