Infrared absorption and crystal structure of CBr3F and CCl3Br

The structure of solid tribromofluoromethane CFBr3 by powder neutron diffraction

“…The crystal structure is in agreement with earlier Raman and infrared spectroscopic studies (Tsyashchenko and Pisanskii, 1972;Shurvell and Durig, 1984;Shurvell and James, 1983) which indicated an orthorhombic structure and C s (m) symmetry for the molecules. However the latter's conclusion of a non-centrosymmetric structure with two molecules per unit cell is not correct.…”

“…From the infrared spectrum, Tsyashchenko and Pisanskii (1972) deduced that the point symmetry of the molecules in the solid is C s (m). Shurvell and Durig (1984) and Shurvell and James (1983) went further, concluding that the infrared and Raman spectra are compatible with a noncentrosymmetric orthorhombic crystal structure whose point group is C 2v (mm2) with two molecules per unit cell on sites of symmetry C s (m).…”