A Structural Study of the Successive Transitions in LiRbSO4

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タイトル別名
  • A Structural Study of the Successive Transitions in LiRbSO<SUB>4</SUB>
  • Structural Study of the Successive Tr

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The crystal structures of LiRbSO4 are analyzed in the disordered phase (250, 220 and 210°C), the antiferroelectric phase (190°C), the ferroelectric phase (170°C) and the paraelectric phase (160 and −100°C) from X-ray diffraction data. In the disordered phase, it is concluded that the SO4 tetrahedron is in disorder by using of the split atom method as well as the difference Fourier maps. Following the incommensurate-commensurate transition, the tetrahedra occupy one of two configurations alternately. The modulation period 2c0 at 190°C is elongated to 5c0 in the ferroelectric phase, where c0 is the basic cell dimension in the disordered phase. The structural transformation is characterized by the change of the occupation pattern of the SO4 tetrahedron correlated to the displacement of its center of mass and positions of Li and Rb atoms.

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