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Structural study of nonlinear optical borates K1−xNaxSr4(BO3)3 (x≤0.5)

Published online by Cambridge University Press:  06 March 2012

L. Wu,
Y. Zhang,
W. W. Su,
Y. F. Kong and
J. J. Xu
L. Wu*
Affiliation:
The MOE Key Laboratory of Weak-Light Nonlinear Photonics, School of Physics, Nankai University, Tianjin 300071, People’s Republic of China
Y. Zhang
Affiliation:
Institute of Photo-Electronic Thin Film Devices and Technology, Nankai University, Tianjin 300071, People’s Republic of China
W. W. Su
Affiliation:
The MOE Key Laboratory of Weak-Light Nonlinear Photonics, School of Physics, Nankai University, Tianjin 300071, People’s Republic of China
Y. F. Kong
Affiliation:
The MOE Key Laboratory of Weak-Light Nonlinear Photonics, School of Physics, Nankai University, Tianjin 300071, People’s Republic of China
J. J. Xu
Affiliation:
The MOE Key Laboratory of Weak-Light Nonlinear Photonics, School of Physics, Nankai University, Tianjin 300071, People’s Republic of China
*
a)Author to whom correspondence should be addressed. Electronic mail: lwu@nankai.edu.cn
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Abstract

X-ray powder diffraction was used for the structural study of nonlinear optical borates K1−xNaxSr4(BO3)3 (x≤0.5). Results show that up to 50% K+ can be substituted by Na+ in orthorhombic K1−xNaxSr4(BO3)3. Isolated BO3 triangles in the Na-substituted compound constrict to adjust to a local distribution of alkali-metal atoms, which explains the large range of structural homogeneity. An expansion of the c axis in a unit cell with increasing Na substitution was found probably caused by the tilted BO3 triangles and asymmetric distortion of (K/Na)O8 polyhedra. As the ratio of ionic radii of alkaline-earth and alkali-metal cations decreases and the electronegative difference between alkaline-earth and alkali-metal cations increases, the crystal system of MM′4(BO3)3 borates changes from cubic to orthorhombic and then to monoclinic.

Keywords

nonlinear optical materialborateRietveld refinement

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Type
Technical Articles
Information
Powder Diffraction , Volume 25 , Supplement S1 , September 2010, pp. S11 - S16
Copyright
Copyright © Cambridge University Press 2010

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