Crystal Structure and Lattice Energy of Orthorhombic Hexachloroethane

As a part of an investigation of the crystal structures of hexachloroethane, the orthorhombic phase of hexachloroethane has been investigated by x-ray methods. The unit cell, of dimensions a=11.56A, b=10.18A, and c=6.42A,contains four molecules. The space group is D2h16—Pnma. The two- and three-dimensional Fourier series were calculated and atomic coordinates determined. Detailed discussions have been given for the lattice energy and molecular interaction of this crystal.