LiZn3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Zn(1) atoms to form LiZn12 cuboctahedra that share corners with six equivalent Li(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(1)Li4Zn8 cuboctahedra, edges with eighteen equivalent Zn(1)Li4Zn8 cuboctahedra, faces with eight equivalent Li(1)Zn12 cuboctahedra, and faces with twelve equivalent Zn(1)Li4Zn8 cuboctahedra. Zn(1) is bonded to four equivalent Li(1) and eight equivalent Zn(1) atoms to form distorted ZnLi4Zn8 cuboctahedra that share corners with four equivalent Li(1)Zn12 cuboctahedra, corners with fourteen equivalent Zn(1)Li4Zn8 cuboctahedra, edges with six equivalent Li(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Li4Zn8 cuboctahedra, faces with four equivalent Li(1)Zn12 cuboctahedra, and faces with sixteen equivalent Zn(1)Li4Zn8 cuboctahedra.
LiZn3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Zn(1) atoms to form LiZn12 cuboctahedra that share corners with six equivalent Li(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(1)Li4Zn8 cuboctahedra, edges with eighteen equivalent Zn(1)Li4Zn8 cuboctahedra, faces with eight equivalent Li(1)Zn12 cuboctahedra, and faces with twelve equivalent Zn(1)Li4Zn8 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.71 Å) Li(1)-Zn(1) bond lengths. Zn(1) is bonded to four equivalent Li(1) and eight equivalent Zn(1) atoms to form distorted ZnLi4Zn8 cuboctahedra that share corners with four equivalent Li(1)Zn12 cuboctahedra, corners with fourteen equivalent Zn(1)Li4Zn8 cuboctahedra, edges with six equivalent Li(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Li4Zn8 cuboctahedra, faces with four equivalent Li(1)Zn12 cuboctahedra, and faces with sixteen equivalent Zn(1)Li4Zn8 cuboctahedra. There are a spread of Zn(1)-Zn(1) bond distances ranging from 2.68-2.72 Å.