Ti6Zn2C crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a square co-planar geometry to eight equivalent Ti(3) and four equivalent C(1) atoms. In the second Ti site, Ti(2) is bonded in a distorted linear geometry to two equivalent Zn(1) atoms. In the third Ti site, Ti(3) is bonded in a 10-coordinate geometry to two equivalent Ti(1), four equivalent Ti(3), two equivalent Zn(1), and two equivalent C(1) atoms. Zn(1) is bonded in a 5-coordinate geometry to one Ti(2) and four equivalent Ti(3) atoms. C(1) is bonded to four equivalent Ti(1) and eight equivalent Ti(3) atoms to form a mixture of face and corner-sharing CTi12 cuboctahedra.
Ti6Zn2C crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a square co-planar geometry to eight equivalent Ti(3) and four equivalent C(1) atoms. All Ti(1)-Ti(3) bond lengths are 2.65 Å. All Ti(1)-C(1) bond lengths are 2.49 Å. In the second Ti site, Ti(2) is bonded in a distorted linear geometry to two equivalent Zn(1) atoms. Both Ti(2)-Zn(1) bond lengths are 2.68 Å. In the third Ti site, Ti(3) is bonded in a 10-coordinate geometry to two equivalent Ti(1), four equivalent Ti(3), two equivalent Zn(1), and two equivalent C(1) atoms. All Ti(3)-Ti(3) bond lengths are 2.49 Å. Both Ti(3)-Zn(1) bond lengths are 2.90 Å. Both Ti(3)-C(1) bond lengths are 2.65 Å. Zn(1) is bonded in a 5-coordinate geometry to one Ti(2) and four equivalent Ti(3) atoms. C(1) is bonded to four equivalent Ti(1) and eight equivalent Ti(3) atoms to form a mixture of face and corner-sharing CTi12 cuboctahedra.