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Crystal structure and phonon modes of ilmenite‐type NaBiO 3 investigated by Raman and infrared spectroscopies
Author(s) -
Dias Anderson,
Moreira Roberto L.
Publication year - 2010
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.2496
Subject(s) - phonon , raman spectroscopy , ilmenite , infrared , raman scattering , chemistry , polar , crystal structure , infrared spectroscopy , crystallography , analytical chemistry (journal) , condensed matter physics , optics , mineralogy , physics , quantum mechanics , organic chemistry , chromatography
NaBiO 3 is an ilmenite‐type compound presenting a trigonal structure. In this work, we have performed optical spectroscopic investigations using Raman scattering and infrared reflectivity for this material. By using group‐theory calculations, it was possible to determine the number of optically active modes. Fitting procedures besides Kramers–Kronig (KK) procedures lead to a consistent collection of phonon modes. The Raman spectrum showed nine active first‐order modes, while the infrared one revealed eight polar phonons, in good agreement with the theoretical predictions. The results allowed us to confirm the R 3 (#148) space group for this compound, and to establish a set of active phonons not yet reported in the literature. Copyright © 2009 John Wiley & Sons, Ltd.