Fooyin University Institutional Repository:Item 987654321/1062
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    FYIR > Co-education center > Science Group > Journal Article >  Item 987654321/1062
    Please use this identifier to cite or link to this item: https://ir.fy.edu.tw:8080/ir/handle/987654321/1062


    Title: Synchrotron X-ray Studies of LiNbO3 and LiTaO3
    Authors: R. Hsu, E. N. Maslen, D. du Bauley & N. Ishizawa
    Contributors: 輔英科技大學 共同教育中心 自然科學組
    Date: 1997-08-01
    Issue Date: 2010-09-24 13:56:53 (UTC+8)
    Abstract: The structural geometry, vibrations and deformation density for lithium niobate, LiNbO3, and lithium tantalate, LiTaO3, are derived from synchrotron radiation diffraction measurements. Electron density is transferred from the Nb (Ta) atom towards the large O3 triangle near the Li atom. Spontaneous polarizations of 0.43 (LiNbO3) and 0.33 cm-2 (LiTaO3), calculated with Hirshfeld charges, agree qualitatively with experimental values of 0.71 and 0.50 -2, respectively. Both strong Li Nb (Ta) interactions in the structure are markedly shorter than all Li Li, Nb Nb or Ta Ta vectors, as expected if the Li and Nb (Ta) cations carry charges of opposite sign. The Li atom's negative charge plays a pivotal role in the polarization responsible for ferroelectricity. LiNbO3, space group R3c, rhombohedral, Mr = 147.8, a = 5.493 (2) Å, = 55.89 (3)°, V = 106.02 (4) Å3, Z = 2, Dx = 4.629 Mg m-3, F(000) = 136, (0.7 Å) = 5.01 mm-l, ymin = 0.27, T = 293 K, R = 0.015, wR = 0.015, S = 3.276 (84) for 773 unique reflections. LiTaO3, R3c, rhombohedral, Mr = 235.9, a = 5.471 (2) Å, = 56.16 (3)°, V = 105.51 (4) Å3, Z = 2, Dx = 7.412 Mg m-3, F(000) = 200, (0.7 Å) = 50.03 mm-1, ymin = 0.32, T = 293 K, R = 0.016, wR = 0.022, S = 1.372(35) for 773 unique reflections.
    Relation: Acta Crystallographica Section B
    53(8),420-428
    Appears in Collections:[Science Group] Journal Article

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