Growth and structure redetermination of a nonlinear BaAlBO3F2 crystal

被引：61

作者：

Hu, Zhanggui ^{[1
]}

Yue, Yinchao ^{[1
]}

Chen, Xuean ^{[3
]}

Yao, Jiyong ^{[1
]}

Wang, Jianuo ^{[1
,2
]}

Lin, Zheshuai ^{[1
]}

机构：

[1] Chinese Acad Sci, Key Lab Funct Crystals & Laser Technol, Tech Inst Phys & Chem, Beijing 100190, Peoples R China

[2] Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China

[3] Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

来源：

SOLID STATE SCIENCES | 2011年 / 13卷 / 05期

基金：

中国国家自然科学基金; 中国科学院院长基金特别;

关键词：

Crystal structure; X-ray diffraction; Middle-seeded solution growth technique; Nonlinear optical crystals; OPTICAL CRYSTAL; GENERATION;

D O I：

10.1016/j.solidstatesciences.2011.03.002

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A nonlinear crystal BaAIBO(3)F(2) (BABF) with desired morphologies, high quality and sizes up to 50 x 40 x 25 mm(3) had been successfully grown by the middle-seeded solution growth technique. Nonlinear coefficient measurement leads to the suspicion that the space group determined in 2002 was incomplete. We have thus reexamined the crystal structure on an automated Rigaku AFC7R four-circle diffractometer with the use of a high-quality small crystal. The crystal structure of BABF is now assigned with a new space group of P (6) over bar 2c instead of P (6) over bar reported previously. The first-principles calculations also verify that the former structure is more energetically favorable. (C) 2011 Elsevier Masson SAS. All rights reserved.

引用

页码：875 / 878

页数：4

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