BeTi3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Be(1) is bonded to four equivalent Ti(2) and eight equivalent Ti(1) atoms to form BeTi12 cuboctahedra that share corners with four equivalent Be(1)Ti12 cuboctahedra, corners with eight equivalent Ti(2)Ti8Be4 cuboctahedra, edges with eight equivalent Be(1)Ti12 cuboctahedra, edges with sixteen equivalent Ti(1)Ti8Be4 cuboctahedra, faces with four equivalent Be(1)Ti12 cuboctahedra, faces with six equivalent Ti(2)Ti8Be4 cuboctahedra, and faces with eight equivalent Ti(1)Ti8Be4 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Be(1), four equivalent Ti(1), and four equivalent Ti(2) atoms to form TiTi8Be4 cuboctahedra that share corners with twelve equivalent Ti(1)Ti8Be4 cuboctahedra, edges with eight equivalent Be(1)Ti12 cuboctahedra, edges with eight equivalent Ti(1)Ti8Be4 cuboctahedra, edges with eight equivalent Ti(2)Ti8Be4 cuboctahedra, faces with four equivalent Be(1)Ti12 cuboctahedra, faces with four equivalent Ti(2)Ti8Be4 cuboctahedra, and faces with ten equivalent Ti(1)Ti8Be4 cuboctahedra. In the second Ti site, Ti(2) is bonded to four equivalent Be(1) and eight equivalent Ti(1) atoms to form TiTi8Be4 cuboctahedra that share corners with four equivalent Ti(2)Ti8Be4 cuboctahedra, corners with eight equivalent Be(1)Ti12 cuboctahedra, edges with eight equivalent Ti(2)Ti8Be4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti8Be4 cuboctahedra, faces with four equivalent Ti(2)Ti8Be4 cuboctahedra, faces with six equivalent Be(1)Ti12 cuboctahedra, and faces with eight equivalent Ti(1)Ti8Be4 cuboctahedra.
BeTi3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Be(1) is bonded to four equivalent Ti(2) and eight equivalent Ti(1) atoms to form BeTi12 cuboctahedra that share corners with four equivalent Be(1)Ti12 cuboctahedra, corners with eight equivalent Ti(2)Ti8Be4 cuboctahedra, edges with eight equivalent Be(1)Ti12 cuboctahedra, edges with sixteen equivalent Ti(1)Ti8Be4 cuboctahedra, faces with four equivalent Be(1)Ti12 cuboctahedra, faces with six equivalent Ti(2)Ti8Be4 cuboctahedra, and faces with eight equivalent Ti(1)Ti8Be4 cuboctahedra. All Be(1)-Ti(2) bond lengths are 2.72 Å. All Be(1)-Ti(1) bond lengths are 2.78 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Be(1), four equivalent Ti(1), and four equivalent Ti(2) atoms to form TiTi8Be4 cuboctahedra that share corners with twelve equivalent Ti(1)Ti8Be4 cuboctahedra, edges with eight equivalent Be(1)Ti12 cuboctahedra, edges with eight equivalent Ti(1)Ti8Be4 cuboctahedra, edges with eight equivalent Ti(2)Ti8Be4 cuboctahedra, faces with four equivalent Be(1)Ti12 cuboctahedra, faces with four equivalent Ti(2)Ti8Be4 cuboctahedra, and faces with ten equivalent Ti(1)Ti8Be4 cuboctahedra. All Ti(1)-Ti(1) bond lengths are 2.72 Å. All Ti(1)-Ti(2) bond lengths are 2.78 Å. In the second Ti site, Ti(2) is bonded to four equivalent Be(1) and eight equivalent Ti(1) atoms to form TiTi8Be4 cuboctahedra that share corners with four equivalent Ti(2)Ti8Be4 cuboctahedra, corners with eight equivalent Be(1)Ti12 cuboctahedra, edges with eight equivalent Ti(2)Ti8Be4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti8Be4 cuboctahedra, faces with four equivalent Ti(2)Ti8Be4 cuboctahedra, faces with six equivalent Be(1)Ti12 cuboctahedra, and faces with eight equivalent Ti(1)Ti8Be4 cuboctahedra.