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Chemical bonding and Bi atom anharmonicity in Ba0.87K0.13BiO3 crystal

✍ Scribed by Yu.A. Abramov; I.M. Reznik; V.G. Tsirelson; F.P. Okamura

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
288 KB
Volume
254
Category
Article
ISSN
0921-4534

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✦ Synopsis

The electron density distribution and Bi atom displacements in Bao.s7Ko.13BiO 3 perovskite single crystal are studied using both X-ray diffraction data and modified statistical method calculations. A noticeable covalent component in the Bi bond with neighboring oxygens is revealed. The nature of the Bi atom anharmonic displacements reflect either dynamic or static instability in its ideal crystallographic position. The results obtained indirectly support the interpretation of the nature of incommensurate modulation in Bal_xKxBiO 3 crystals under electron irradiation.

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