LiDy3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Dy(1) atoms to form LiDy12 cuboctahedra that share corners with six equivalent Li(1)Dy12 cuboctahedra, corners with twelve equivalent Dy(1)Li4Dy8 cuboctahedra, edges with eighteen equivalent Dy(1)Li4Dy8 cuboctahedra, faces with eight equivalent Li(1)Dy12 cuboctahedra, and faces with twelve equivalent Dy(1)Li4Dy8 cuboctahedra. Dy(1) is bonded to four equivalent Li(1) and eight equivalent Dy(1) atoms to form distorted DyLi4Dy8 cuboctahedra that share corners with four equivalent Li(1)Dy12 cuboctahedra, corners with fourteen equivalent Dy(1)Li4Dy8 cuboctahedra, edges with six equivalent Li(1)Dy12 cuboctahedra, edges with twelve equivalent Dy(1)Li4Dy8 cuboctahedra, faces with four equivalent Li(1)Dy12 cuboctahedra, and faces with sixteen equivalent Dy(1)Li4Dy8 cuboctahedra.
LiDy3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Dy(1) atoms to form LiDy12 cuboctahedra that share corners with six equivalent Li(1)Dy12 cuboctahedra, corners with twelve equivalent Dy(1)Li4Dy8 cuboctahedra, edges with eighteen equivalent Dy(1)Li4Dy8 cuboctahedra, faces with eight equivalent Li(1)Dy12 cuboctahedra, and faces with twelve equivalent Dy(1)Li4Dy8 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.50 Å) Li(1)-Dy(1) bond lengths. Dy(1) is bonded to four equivalent Li(1) and eight equivalent Dy(1) atoms to form distorted DyLi4Dy8 cuboctahedra that share corners with four equivalent Li(1)Dy12 cuboctahedra, corners with fourteen equivalent Dy(1)Li4Dy8 cuboctahedra, edges with six equivalent Li(1)Dy12 cuboctahedra, edges with twelve equivalent Dy(1)Li4Dy8 cuboctahedra, faces with four equivalent Li(1)Dy12 cuboctahedra, and faces with sixteen equivalent Dy(1)Li4Dy8 cuboctahedra. There are a spread of Dy(1)-Dy(1) bond distances ranging from 3.44-3.55 Å.