Ba3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to eight equivalent Ba(1) and four equivalent Y(1) atoms to form distorted BaBa8Y4 cuboctahedra that share corners with four equivalent Y(1)Ba12 cuboctahedra, corners with fourteen equivalent Ba(1)Ba8Y4 cuboctahedra, edges with six equivalent Y(1)Ba12 cuboctahedra, edges with twelve equivalent Ba(1)Ba8Y4 cuboctahedra, faces with four equivalent Y(1)Ba12 cuboctahedra, and faces with sixteen equivalent Ba(1)Ba8Y4 cuboctahedra. Y(1) is bonded to twelve equivalent Ba(1) atoms to form YBa12 cuboctahedra that share corners with six equivalent Y(1)Ba12 cuboctahedra, corners with twelve equivalent Ba(1)Ba8Y4 cuboctahedra, edges with eighteen equivalent Ba(1)Ba8Y4 cuboctahedra, faces with eight equivalent Y(1)Ba12 cuboctahedra, and faces with twelve equivalent Ba(1)Ba8Y4 cuboctahedra.
Ba3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to eight equivalent Ba(1) and four equivalent Y(1) atoms to form distorted BaBa8Y4 cuboctahedra that share corners with four equivalent Y(1)Ba12 cuboctahedra, corners with fourteen equivalent Ba(1)Ba8Y4 cuboctahedra, edges with six equivalent Y(1)Ba12 cuboctahedra, edges with twelve equivalent Ba(1)Ba8Y4 cuboctahedra, faces with four equivalent Y(1)Ba12 cuboctahedra, and faces with sixteen equivalent Ba(1)Ba8Y4 cuboctahedra. There are a spread of Ba(1)-Ba(1) bond distances ranging from 4.08-4.36 Å. There are two shorter (4.11 Å) and two longer (4.22 Å) Ba(1)-Y(1) bond lengths. Y(1) is bonded to twelve equivalent Ba(1) atoms to form YBa12 cuboctahedra that share corners with six equivalent Y(1)Ba12 cuboctahedra, corners with twelve equivalent Ba(1)Ba8Y4 cuboctahedra, edges with eighteen equivalent Ba(1)Ba8Y4 cuboctahedra, faces with eight equivalent Y(1)Ba12 cuboctahedra, and faces with twelve equivalent Ba(1)Ba8Y4 cuboctahedra.