LiGd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Gd(1) atoms to form LiGd12 cuboctahedra that share corners with six equivalent Li(1)Gd12 cuboctahedra, corners with twelve equivalent Gd(1)Li4Gd8 cuboctahedra, edges with eighteen equivalent Gd(1)Li4Gd8 cuboctahedra, faces with eight equivalent Li(1)Gd12 cuboctahedra, and faces with twelve equivalent Gd(1)Li4Gd8 cuboctahedra. Gd(1) is bonded to four equivalent Li(1) and eight equivalent Gd(1) atoms to form distorted GdLi4Gd8 cuboctahedra that share corners with four equivalent Li(1)Gd12 cuboctahedra, corners with fourteen equivalent Gd(1)Li4Gd8 cuboctahedra, edges with six equivalent Li(1)Gd12 cuboctahedra, edges with twelve equivalent Gd(1)Li4Gd8 cuboctahedra, faces with four equivalent Li(1)Gd12 cuboctahedra, and faces with sixteen equivalent Gd(1)Li4Gd8 cuboctahedra.
LiGd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Gd(1) atoms to form LiGd12 cuboctahedra that share corners with six equivalent Li(1)Gd12 cuboctahedra, corners with twelve equivalent Gd(1)Li4Gd8 cuboctahedra, edges with eighteen equivalent Gd(1)Li4Gd8 cuboctahedra, faces with eight equivalent Li(1)Gd12 cuboctahedra, and faces with twelve equivalent Gd(1)Li4Gd8 cuboctahedra. There are six shorter (3.43 Å) and six longer (3.52 Å) Li(1)-Gd(1) bond lengths. Gd(1) is bonded to four equivalent Li(1) and eight equivalent Gd(1) atoms to form distorted GdLi4Gd8 cuboctahedra that share corners with four equivalent Li(1)Gd12 cuboctahedra, corners with fourteen equivalent Gd(1)Li4Gd8 cuboctahedra, edges with six equivalent Li(1)Gd12 cuboctahedra, edges with twelve equivalent Gd(1)Li4Gd8 cuboctahedra, faces with four equivalent Li(1)Gd12 cuboctahedra, and faces with sixteen equivalent Gd(1)Li4Gd8 cuboctahedra. There are a spread of Gd(1)-Gd(1) bond distances ranging from 3.46-3.59 Å.