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Structure and vibrational dynamics of tetragonal NaBi(WO4)2 scheelite crystal

✍ Scribed by J. Hanuza; A. Benzar; A. Haznar; M. Maczka; A. Pietraszko; J.H. van der Maas

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 803 KB
Volume: 12
Category: Article
ISSN: 0924-2031
DOI: 10.1016/0924-2031(96)00006-9

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✦ Synopsis

The structure of tetragonal NaBi(WO,), crystal is determined. The space group is Z8 = Sj with cell dimensions a = 5.275, c = 11.493 w and two molecules per unit cell. The tungsten atoms occupy two different sites of 4 symmetry. Also Bi and Na atoms statistically occupy two positions with different occupancy factors. The IR and polarized Raman spectra are discussed on the basis of factor group analysis and normal coordinate calculations. Urey-Bradley force field and potential energy distribution were used in description of the normal modes. The polarization behavior of vibrational spectra is explained and related to the crystal structure.

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