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

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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.
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)
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 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。
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