A New Double Alkali Metal Borate LiRbB8O13 with Large Bandgap and Birefringence  

作　　者：CHAI Kun HU Shuai-Shuai HAN Shu-Juan ABUDUKADI Tudi YANG Zhi-Hua PAN Shi-Lie 柴坤;胡帅帅;韩树娟;阿布都卡地·吐地;杨志华;潘世烈(CAS Key Laboratory of Functional Materials and Devices for Special Environments,Xinjiang Technical Institute of Physics&Chemistry,CAS,Xinjiang Key Laboratory of Electronic Information Materials and Devices,40-1 South Beijing Road,Urumqi 830011,China;Center of Materials Science and Optoelectronics Engineering,University of Chinese Academy of Sciences,Beijing 100049,China)

机构地区：[1]CAS Key Laboratory of Functional Materials and Devices for Special Environments,Xinjiang Technical Institute of Physics&Chemistry,CAS,Xinjiang Key Laboratory of Electronic Information Materials and Devices,40-1 South Beijing Road,Urumqi 830011,China [2]Center of Materials Science and Optoelectronics Engineering,University of Chinese Academy of Sciences,Beijing 100049,China

出　　处：《Chinese Journal of Structural Chemistry》2020年第9期1578-1584,1553,共8页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(61835014,U1703127,51972336);Shanghai Cooperation Organization Science and Technology Partnership Program(2020E01019);Xinjiang Outstanding Young Talents in Science and Technology(2018Q004);Fujian Institute of Innovation,CAS。

摘　　要：A new double alkali metal borate,LiRbB8O13,has been obtained in the sealed system.Its structure consists of two kinds of independent interpenetrating 3D frameworks composed of the fundamental building block,[B8O16]8–.It crystallizes in the P21/c space group with a=10.950(6),b=7.689(4),c=11.375(7)?,β=96.653(7)°,V=951.2(9)?3,Z=4,F(000)=736,Dc=2.702 g/cm3,Mr=386.89 andμ=5.289 mm–1.The final R=0.0547 and w R=0.1224.The UV-Vis-NIR diffuse reflectance spectrum,infrared spectrum and the first-principle theoretical studies show that the title compound possesses a short cut-off edge and large birefringence.

关 键 词：double alkali metal BORATE BIREFRINGENCE cut-off edge 

分 类 号：O734[理学—晶体学] TB34[一般工业技术—材料科学与工程]