Na3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1) and four equivalent Nd(1) atoms to form distorted NaNa8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Nd4 cuboctahedra; edges with six equivalent Nd(1)Na12 cuboctahedra; edges with twelve Na(1,1)Na8Nd4 cuboctahedra; faces with four equivalent Nd(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8Nd4 cuboctahedra. In the second Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Nd(1) atoms to form distorted NaNa8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Nd4 cuboctahedra; edges with six equivalent Nd(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Nd4 cuboctahedra; faces with four equivalent Nd(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8Nd4 cuboctahedra. Nd(1) is bonded to twelve Na(1,1) atoms to form NdNa12 cuboctahedra that share corners with six equivalent Nd(1)Na12 cuboctahedra; corners with twelve Na(1,1)Na8Nd4 cuboctahedra; edges with eighteen Na(1,1)Na8Nd4 cuboctahedra; faces with eight equivalent Nd(1)Na12 cuboctahedra; and faces with twelve Na(1,1)Na8Nd4 cuboctahedra.
Na3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1) and four equivalent Nd(1) atoms to form distorted NaNa8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Nd4 cuboctahedra; edges with six equivalent Nd(1)Na12 cuboctahedra; edges with twelve Na(1,1)Na8Nd4 cuboctahedra; faces with four equivalent Nd(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8Nd4 cuboctahedra. There are a spread of Na(1)-Na(1,1) bond distances ranging from 3.57-3.81 Å. There are two shorter (3.67 Å) and two longer (3.69 Å) Na(1)-Nd(1) bond lengths. In the second Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Nd(1) atoms to form distorted NaNa8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Nd4 cuboctahedra; edges with six equivalent Nd(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Nd4 cuboctahedra; faces with four equivalent Nd(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8Nd4 cuboctahedra. There are two shorter (3.67 Å) and two longer (3.69 Å) Na(1)-Nd(1) bond lengths. Nd(1) is bonded to twelve Na(1,1) atoms to form NdNa12 cuboctahedra that share corners with six equivalent Nd(1)Na12 cuboctahedra; corners with twelve Na(1,1)Na8Nd4 cuboctahedra; edges with eighteen Na(1,1)Na8Nd4 cuboctahedra; faces with eight equivalent Nd(1)Na12 cuboctahedra; and faces with twelve Na(1,1)Na8Nd4 cuboctahedra.