Orientational ordering and site structure of SiF4 trapped in rare gas solids

The infrared spectrum of the ν3 mode of SiF4 shows only one site with marked site-symmetry splitting accompanied by pronounced (>95%) orientational ordering. The results indicate a site symmetry of C3v with the SiF4 molecule occupying a four-atom substitutional site with a cubic-close-packed environment. In krypton and xenon matrices, however, SiF4 occupies a three-atom substitutional site. The fact that SiF4 shows only one dominant site when present in argon matrices of UF6 indicates that one of the two UF6 sites has a local hexagonal close packed environment induced by short range stacking faults.