Na3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1,1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve Na(1,1,1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. In the second Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. In the third Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. Dy(1) is bonded to twelve Na(1,1,1) atoms to form DyNa12 cuboctahedra that share corners with six equivalent Dy(1)Na12 cuboctahedra; corners with twelve Na(1,1)Na8Dy4 cuboctahedra; edges with eighteen Na(1,1,1)Na8Dy4 cuboctahedra; faces with eight equivalent Dy(1)Na12 cuboctahedra; and faces with twelve Na(1,1,1)Na8Dy4 cuboctahedra.
Na3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1,1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve Na(1,1,1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. There are a spread of Na(1)-Na(1,1,1) bond distances ranging from 3.56-3.72 Å. There are two shorter (3.63 Å) and two longer (3.64 Å) Na(1)-Dy(1) bond lengths. In the second Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. There are two shorter (3.63 Å) and two longer (3.64 Å) Na(1)-Dy(1) bond lengths. In the third Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. There are two shorter (3.63 Å) and two longer (3.64 Å) Na(1)-Dy(1) bond lengths. Dy(1) is bonded to twelve Na(1,1,1) atoms to form DyNa12 cuboctahedra that share corners with six equivalent Dy(1)Na12 cuboctahedra; corners with twelve Na(1,1)Na8Dy4 cuboctahedra; edges with eighteen Na(1,1,1)Na8Dy4 cuboctahedra; faces with eight equivalent Dy(1)Na12 cuboctahedra; and faces with twelve Na(1,1,1)Na8Dy4 cuboctahedra.