Ti3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to eight Ti(1,1) and four equivalent In(1) atoms to form TiTi8In4 cuboctahedra that share corners with four equivalent In(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8In4 cuboctahedra; edges with six equivalent In(1)Ti12 cuboctahedra; edges with twelve Ti(1,1)Ti8In4 cuboctahedra; faces with four equivalent In(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1)Ti8In4 cuboctahedra. In the second Ti site, Ti(1) is bonded to eight equivalent Ti(1) and four equivalent In(1) atoms to form TiTi8In4 cuboctahedra that share corners with four equivalent In(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8In4 cuboctahedra; edges with six equivalent In(1)Ti12 cuboctahedra; edges with twelve equivalent Ti(1)Ti8In4 cuboctahedra; faces with four equivalent In(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1)Ti8In4 cuboctahedra. In(1) is bonded to twelve Ti(1,1) atoms to form InTi12 cuboctahedra that share corners with six equivalent In(1)Ti12 cuboctahedra; corners with twelve equivalent Ti(1)Ti8In4 cuboctahedra; edges with eighteen Ti(1,1)Ti8In4 cuboctahedra; faces with eight equivalent In(1)Ti12 cuboctahedra; and faces with twelve Ti(1,1)Ti8In4 cuboctahedra.
Ti3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to eight Ti(1,1) and four equivalent In(1) atoms to form TiTi8In4 cuboctahedra that share corners with four equivalent In(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8In4 cuboctahedra; edges with six equivalent In(1)Ti12 cuboctahedra; edges with twelve Ti(1,1)Ti8In4 cuboctahedra; faces with four equivalent In(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1)Ti8In4 cuboctahedra. There are a spread of Ti(1)-Ti(1,1) bond distances ranging from 2.92-2.98 Å. There are two shorter (2.94 Å) and two longer (2.95 Å) Ti(1)-In(1) bond lengths. In the second Ti site, Ti(1) is bonded to eight equivalent Ti(1) and four equivalent In(1) atoms to form TiTi8In4 cuboctahedra that share corners with four equivalent In(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8In4 cuboctahedra; edges with six equivalent In(1)Ti12 cuboctahedra; edges with twelve equivalent Ti(1)Ti8In4 cuboctahedra; faces with four equivalent In(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1)Ti8In4 cuboctahedra. There are two shorter (2.94 Å) and two longer (2.95 Å) Ti(1)-In(1) bond lengths. In(1) is bonded to twelve Ti(1,1) atoms to form InTi12 cuboctahedra that share corners with six equivalent In(1)Ti12 cuboctahedra; corners with twelve equivalent Ti(1)Ti8In4 cuboctahedra; edges with eighteen Ti(1,1)Ti8In4 cuboctahedra; faces with eight equivalent In(1)Ti12 cuboctahedra; and faces with twelve Ti(1,1)Ti8In4 cuboctahedra.