Pb6Ba2(BO3)(5)X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb2+ and (BO3)(3-)
Liu, L (Liu, Lu)1; Zhang, BB (Zhang, Bingbing)1; Zhang, FF (Zhang, Fangfang)1; Pan, SL (Pan, Shilie)1; Zhang, FY (Zhang, Fangyuan)1; Zhang, XW (Zhang, Xingwen)1; Dong, XY (Dong, Xiaoyu)1; Yang, ZH (Yang, Zhihua)1
2015
Source PublicationDALTON TRANSACTIONS
ISSN1477-9226
Volume44Issue:15Pages:7041-7047
Abstract

Two new borate halides, Pb6Ba2(BO3)(5)X (X = Cl, Br), have been synthesized by solid-state reactions and their structures determined by single-crystal X-ray diffraction. They are isostructural and feature 3D frameworks composed of alternate stacking of [PbBO] and [PbBOX] layers which are connected by 10-coordinated Ba atoms along the c direction. First-principles calculations show that both compounds have a large birefringence of 0.1582 and 0.1810 at 532 nm, respectively. The large birefringence originates from the strong optical anisotropies of the Pb2+ cations and (BO3)(3-) groups based on the real-space atom-cutting analysis. The IR and UV-Vis-NIR diffuse reflectance spectroscopy, as well as thermal stability analyses of both compounds, were performed.

DOI10.1039/c5dt00641d
Indexed BySCI
WOS IDWOS:000352271900036
Citation statistics
Cited Times:10[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4889
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Corresponding AuthorPan, SL (Pan, Shilie)
Affiliation1.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Liu, L ,Zhang, BB ,Zhang, FF ,et al. Pb6Ba2(BO3)(5)X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb2+ and (BO3)(3-)[J]. DALTON TRANSACTIONS,2015,44(15):7041-7047.
APA Liu, L .,Zhang, BB .,Zhang, FF .,Pan, SL .,Zhang, FY .,...&Yang, ZH .(2015).Pb6Ba2(BO3)(5)X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb2+ and (BO3)(3-).DALTON TRANSACTIONS,44(15),7041-7047.
MLA Liu, L ,et al."Pb6Ba2(BO3)(5)X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb2+ and (BO3)(3-)".DALTON TRANSACTIONS 44.15(2015):7041-7047.
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