Ba3Sr 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 Sr(1) atoms to form BaBa8Sr4 cuboctahedra that share corners with four equivalent Sr(1)Ba12 cuboctahedra, corners with fourteen equivalent Ba(1)Ba8Sr4 cuboctahedra, edges with six equivalent Sr(1)Ba12 cuboctahedra, edges with twelve equivalent Ba(1)Ba8Sr4 cuboctahedra, faces with four equivalent Sr(1)Ba12 cuboctahedra, and faces with sixteen equivalent Ba(1)Ba8Sr4 cuboctahedra. Sr(1) is bonded to twelve equivalent Ba(1) atoms to form SrBa12 cuboctahedra that share corners with six equivalent Sr(1)Ba12 cuboctahedra, corners with twelve equivalent Ba(1)Ba8Sr4 cuboctahedra, edges with eighteen equivalent Ba(1)Ba8Sr4 cuboctahedra, faces with eight equivalent Sr(1)Ba12 cuboctahedra, and faces with twelve equivalent Ba(1)Ba8Sr4 cuboctahedra.
Ba3Sr 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 Sr(1) atoms to form BaBa8Sr4 cuboctahedra that share corners with four equivalent Sr(1)Ba12 cuboctahedra, corners with fourteen equivalent Ba(1)Ba8Sr4 cuboctahedra, edges with six equivalent Sr(1)Ba12 cuboctahedra, edges with twelve equivalent Ba(1)Ba8Sr4 cuboctahedra, faces with four equivalent Sr(1)Ba12 cuboctahedra, and faces with sixteen equivalent Ba(1)Ba8Sr4 cuboctahedra. There are a spread of Ba(1)-Ba(1) bond distances ranging from 4.48-4.61 Å. There are two shorter (4.44 Å) and two longer (4.54 Å) Ba(1)-Sr(1) bond lengths. Sr(1) is bonded to twelve equivalent Ba(1) atoms to form SrBa12 cuboctahedra that share corners with six equivalent Sr(1)Ba12 cuboctahedra, corners with twelve equivalent Ba(1)Ba8Sr4 cuboctahedra, edges with eighteen equivalent Ba(1)Ba8Sr4 cuboctahedra, faces with eight equivalent Sr(1)Ba12 cuboctahedra, and faces with twelve equivalent Ba(1)Ba8Sr4 cuboctahedra.