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Issue 7, 2017
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Li6Zn3(BO3)4: a new zincoborate featuring vertex-, edge- and face-sharing LiO4 tetrahedra and exhibiting reversible phase transitions†

Yanna Chen,‡ab   Donghai An,‡c   Min Zhang, ORCID logo *a   Cong Hu,ab   Miriding Mutailipu,ab   Zhihua Yang, ORCID logo a   Xiaoquan Lud  and  Shilie Pan ORCID logo *a  
Author affiliations

* Corresponding authors

a Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
E-mail: zhangmin@ms.xjb.ac.cn, slpan@ms.xjb.ac.cn

b University of the Chinese Academy of Sciences, Beijing 100049, China

c Department of Physics, Changji University, 77 North Beijing Road, Changji 831100, China

d State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Chaoyang District, North Third Ring Road 15, Beijing 100029, China

Abstract

A new lithium zincoborate Li6Zn3(BO3)4 has been successfully prepared via a high-temperature solution method. Li6Zn3(BO3)4 is composed of LiO4 and ZnO4 tetrahedra, and nearly coplanar BO3 units. A face-sharing LiO4 configuration was found in the title compound, and a comparison of Li–O configurations was systemically investigated for all Li-containing borates. Interestingly, Li6Zn3(BO3)4 has two reversible phase transitions at about 341 and 706 °C, which implies that Li6Zn3(BO3)4 is a potential candidate as a phase change material. In situ high-temperature X-ray diffraction (XRD) and differential scanning calorimetry (DSC) analysis were used to verify the two reversible phase transitions. The linear optical properties were researched in detail using ab initio density functional theory (DFT).

Graphical abstract: Li6Zn3(BO3)4: a new zincoborate featuring vertex-, edge- and face-sharing LiO4 tetrahedra and exhibiting reversible phase transitions

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Article information

https://doi.org/10.1039/C7QI00183E
Submitted
05 Apr 2017
Accepted
30 May 2017
First published
31 May 2017
Inorg. Chem. Front., 2017,4, 1100-1107
Article type
Research Article
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Li6Zn3(BO3)4: a new zincoborate featuring vertex-, edge- and face-sharing LiO4 tetrahedra and exhibiting reversible phase transitions

Y. Chen, D. An, M. Zhang, C. Hu, M. Mutailipu, Z. Yang, X. Lu and S. Pan, Inorg. Chem. Front., 2017, 4, 1100
DOI: 10.1039/C7QI00183E

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