Abstract
A rigid ion lattice dynamical model of K 2ReCl 6 constructed by O'Leary and Wheeler is extended to permit the calculation of the angular vibrational amplitude of the ReCl bond. The detailed analysis reveals that the character of the rotary lattice mode changes from pure rotary at the Brillouin zone center to predominantly translatory at the zone boundary; the character of the translatory lattice modes which is pure translatory at the Brillouin zone center acquires a significant rotary character at the zone boundary. This calculation suggests that the usual type of analysis of nuclear quadrupole resonance data from complex solids can not in general yield quantitative spectroscopic information concerning the frequencies of low-lying librational modes.
Published Version
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