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Please use this identifier to cite or link to this item: http://eprint.iitd.ac.in/handle/2074/203

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dc.contributor.authorZwinscher, Jorg-
dc.contributor.authorLutz, Heinz Dieter-
dc.contributor.authorGupta, Hem Chandra-
dc.identifier.citationJournal of Solid State Chemistry, 124, 162-168en
dc.description.abstractLattice dynamical calculations of Suzuki-type Li6FeCl8 , Li6CoCl8 , and Li6NiCl8 have been performed using various potential models (rigid-ion, central and angular force-constants). The potential energy is mainly controlled by Coulomb forces and short-range MII-Cl interactions (K1 5 0.79 2 0.82, a1 5 0.84 2 0.88 N cm21). There are significant differences between the orresponding TO and LO phonon modes (species F1u), which are caused by the strong macroscopic field in these highly ionic compounds. The sequence of the Raman allowed modes taken from the literature has to be reversed as A1g . Eg . F2g(1) . F2g(2). The higher wavenumbers of the A1g and Eg phonons are due to the involvement of the force-constant K1 in the respective potential energies. FIR reflection spectra of the title compounds including oscillator-fit calculations are presented.en
dc.format.extent168,574 bytes-
dc.subjectLattice dynamicalen
dc.titleLattice vibration spectra: LXXXVIII. Lattice dynamics of Suzuki-Type Li6MIICl8 (MII = Fe, Co, Ni)en
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