ZnIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form ZnIn12 cuboctahedra that share corners with four equivalent Zn(1)In12 cuboctahedra, corners with eight equivalent In(2)Zn4In8 cuboctahedra, edges with eight equivalent Zn(1)In12 cuboctahedra, edges with sixteen equivalent In(1)Zn4In8 cuboctahedra, faces with four equivalent Zn(1)In12 cuboctahedra, faces with six equivalent In(2)Zn4In8 cuboctahedra, and faces with eight equivalent In(1)Zn4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Zn(1), four equivalent In(1), and four equivalent In(2) atoms to form InZn4In8 cuboctahedra that share corners with twelve equivalent In(1)Zn4In8 cuboctahedra, edges with eight equivalent Zn(1)In12 cuboctahedra, edges with eight equivalent In(1)Zn4In8 cuboctahedra, edges with eight equivalent In(2)Zn4In8 cuboctahedra, faces with four equivalent Zn(1)In12 cuboctahedra, faces with four equivalent In(2)Zn4In8 cuboctahedra, and faces with ten equivalent In(1)Zn4In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Zn(1) and eight equivalent In(1) atoms to form InZn4In8 cuboctahedra that share corners with four equivalent In(2)Zn4In8 cuboctahedra, corners with eight equivalent Zn(1)In12 cuboctahedra, edges with eight equivalent In(2)Zn4In8 cuboctahedra, edges with sixteen equivalent In(1)Zn4In8 cuboctahedra, faces with four equivalent In(2)Zn4In8 cuboctahedra, faces with six equivalent Zn(1)In12 cuboctahedra, and faces with eight equivalent In(1)Zn4In8 cuboctahedra.
ZnIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form ZnIn12 cuboctahedra that share corners with four equivalent Zn(1)In12 cuboctahedra, corners with eight equivalent In(2)Zn4In8 cuboctahedra, edges with eight equivalent Zn(1)In12 cuboctahedra, edges with sixteen equivalent In(1)Zn4In8 cuboctahedra, faces with four equivalent Zn(1)In12 cuboctahedra, faces with six equivalent In(2)Zn4In8 cuboctahedra, and faces with eight equivalent In(1)Zn4In8 cuboctahedra. All Zn(1)-In(2) bond lengths are 3.20 Å. All Zn(1)-In(1) bond lengths are 3.31 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Zn(1), four equivalent In(1), and four equivalent In(2) atoms to form InZn4In8 cuboctahedra that share corners with twelve equivalent In(1)Zn4In8 cuboctahedra, edges with eight equivalent Zn(1)In12 cuboctahedra, edges with eight equivalent In(1)Zn4In8 cuboctahedra, edges with eight equivalent In(2)Zn4In8 cuboctahedra, faces with four equivalent Zn(1)In12 cuboctahedra, faces with four equivalent In(2)Zn4In8 cuboctahedra, and faces with ten equivalent In(1)Zn4In8 cuboctahedra. All In(1)-In(1) bond lengths are 3.20 Å. All In(1)-In(2) bond lengths are 3.31 Å. In the second In site, In(2) is bonded to four equivalent Zn(1) and eight equivalent In(1) atoms to form InZn4In8 cuboctahedra that share corners with four equivalent In(2)Zn4In8 cuboctahedra, corners with eight equivalent Zn(1)In12 cuboctahedra, edges with eight equivalent In(2)Zn4In8 cuboctahedra, edges with sixteen equivalent In(1)Zn4In8 cuboctahedra, faces with four equivalent In(2)Zn4In8 cuboctahedra, faces with six equivalent Zn(1)In12 cuboctahedra, and faces with eight equivalent In(1)Zn4In8 cuboctahedra.