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

被引：1

作者：

Wu, L. ^{[1
]}

Zhang, Y. ^{[2
]}

Su, W. W. ^{[1
]}

Kong, Y. F. ^{[1
]}

Xu, J. J. ^{[1
]}

机构：

[1] Nankai Inst Math, MOE Key Lab Weak Light Nonlinear Photon, Sch Phys, Tianjin 300071, Peoples R China

[2] Nankai Inst Math, Inst Photoelect Thin Film Devices & Technol, Tianjin 300071, Peoples R China

来源：

POWDER DIFFRACTION | 2010年 / 25卷 / 03期

关键词：

nonlinear optical material; borate; Rietveld refinement; RELATIVE PROPERTIES; MM'(4)(BO3)(3) M; CRYSTAL; DIFFRACTION; NA; M';

D O I：

10.1154/1.3478412

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

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)O-8 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. (C) 2010 International Centre for Diffraction Data. [DOI: 10.1154/1.3478412]

引用

页码：S11 / S16

页数：6

共 19 条

[11] LINE PROFILES OF NEUTRON POWDER-DIFFRACTION PEAKS FOR STRUCTURE REFINEMENT [J].