Citation: Kun CHAI, Shuai-Shuai HU, Shu-Juan HAN, Tudi ABUDUKADI, Zhi-Hua YANG, Shi-Lie PAN. A New Double Alkali Metal Borate LiRbB₈O₁₃ with Large Bandgap and Birefringence[J]. Chinese Journal of Structural Chemistry, ;2020, 39(9): 1578-1584. doi: 10.14102/j.cnki.0254-5861.2011-2965 shu

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

Kun CHAI ^{a, #} ,
Shuai-Shuai HU ^{a, #} ,
Shu-Juan HAN ^{a, #} ,
Tudi ABUDUKADI ^{a, b} ,
Zhi-Hua YANG ^a ,
Shi-Lie PAN ^a,,

a.
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
b.
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China

Corresponding author: Shi-Lie PAN, slpan@ms.xjb.ac.cn
Received Date: 22 August 2020
Accepted Date: 1 September 2020

Fund Project: the National Natural Science Foundation of China 61835014the National Natural Science Foundation of China U1703127the National Natural Science Foundation of China 51972336Shanghai Cooperation Organization Science and Technology Partnership Program 2020E01019Xinjiang Outstanding Young Talents in Science and Technology 2018Q004

Figures(6)

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) Å, β = 96.653(7)°, V = 951.2(9) Å³, Z = 4, F(000) = 736, D_c = 2.702 g/cm³, M_r = 386.89 and μ = 5.289 mm^–1. The final R = 0.0547 and wR = 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.
- double alkali metal,
- borate,
- birefringence,
- cut-off edge
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A New Double Alkali Metal Borate LiRbB₈O₁₃ with Large Bandgap and Birefringence