期刊
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
卷 2013, 期 32, 页码 5528-5533出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.201301075
关键词
Noncentrosymmetry; Borates; Nonlinear optics; SHG; Structure elucidation
资金
- National Key Basic Research Program of China [2012CB626803]
- National Natural Science Foundation of China [21201176, U1129301, 51172277, 21101168, 11104344]
- Main Direction Program of Knowledge Innovation of the Chinese Academy of Sciences [KJCX2-EW-H03-03]
- Chinese Academy of Sciences
- Funds for Creative Cross & Cooperation Teams of the Chinese Academy of Sciences
- Major Program of Xinjiang Uygur Autonomous Region of China [201130111]
- Xinjiang Uygur Autonomous Region of China [201315103, 201116143]
The noncentrosymmetric borate CsCdBO3 was synthesized by a solid-state reaction, and its structure was determined by single-crystal X-ray diffraction. The crystal structure is a complicated three-dimensional network composed of CdO6 octahedra, CsO6 octahedra, and BO3 triangles. Interestingly, CsCdBO3 crystallizes in the cubic space group P2(1)3, which is quite rare for borate-containing anisotropic polarized planar BO3 groups. Furthermore, the IR spectrum confirms the presence of BO3 groups. Second harmonic generation (SHG) measurements on powder samples reveal that the SHG response of CsCdBO3 is approximately 0.5x KDP (KH2PO4). Thermal analysis and UV/Vis/NIR diffuse reflectance spectroscopy data, as well as electronic band structure calculations, are also reported.
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