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Vibrational Spectra and Energy Characteristics of the Superionics Li4SiO4and Li4GeO4

✍ Scribed by V.V. Fomichev; E.V. Proskuryakova

Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
250 KB
Volume
134
Category
Article
ISSN
0022-4596

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✦ Synopsis

Infrared (IR) and Raman spectra of the superionic conductors Li 4 SiO 4 and Li 4 GeO 4 , including 6 Li-substituted compounds, have been studied. Results of the theoretical analysis of the spectra in conjunction with data on the electrostatic field calculations are presented. E z and E y components of the electrostatic field vector were found to be very small in the vicinity of the cation positions in the structures of Li 4 SiO 4 and Li 4 GeO 4 . Amplitudes of the lithium cation vibrations were calculated from the spectral data. Maximal amplitudes of vibrations were found in the [001] and [010] crystallographic directions for the Li 4 SiO 4 and Li 4 GeO 4 , respectively. The obtained results give information about mechanism of the lithium cations migration in the big group of superionic conductors.

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The structure of Li 2 BAlO 4 is solved ab initio by a powder X-ray diffraction technique. The unit cell of this metaboroaluminate compound is monoclinic (space group P2 1 /c, a‫)3(0272.6؍‬ A s , b ‫؍‬ 5.0701(3) A s , c ‫؍‬ 10.2989(6) A s , ‫,Β°)2(288.59؍‬ Z ‫؍‬ 4, calc ‫؍‬ 2.36 g/cm 3 ). Its network