RbPb8O4Cl9: the first alkali metal lead oxyhalide with distorted [PbO3Cl3] and [PbOCl5] mixed-anion groups

Zhongxu Fan; Chen Bai; Hongsheng Shi; Min Zhang; Bei Zhang; Jun Zhang; Junjie Li

doi:10.1039/D1DT02665H

RbPb₈O₄Cl₉: the first alkali metal lead oxyhalide with distorted [PbO₃Cl₃] and [PbOCl₅] mixed-anion groups†

Zhongxu Fan,‡^a Chen Bai,‡^bc Hongsheng Shi,^b Min Zhang,

^b Bei Zhang,^a Jun Zhang

*^a and Junjie Li

*^b

Author affiliations

* Corresponding authors

^a School of Physics Science and Technology, Xinjiang University, Urumqi 830046, Xinjiang, People's Republic of China
E-mail: zhj@xju.edu.cn

^b CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, CAS, and Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
E-mail: lijunjie@ms.xjb.ac.cn

^c College of Chemistry and Chemical Engineering, Xinjiang Normal University, Urumqi, Xinjiang 830054, China

Abstract

A new heavy metal oxychloride, RbPb₈O₄Cl₉, has been synthesized by a high-temperature solution method. The compound crystallizes in the centrosymmetric space group P4/n (no. 85) and exhibits a three-dimensional (3D) framework constructed from [PbO₃Cl₃], [PbOCl₅] and [RbCl₈] polyhedra. RbPb₈O₄Cl₉ is an indirect band gap compound with an experimental band gap of 3.66 eV. The first-principles calculations indicate that the band gap mainly originated from the interaction of Pb 6p, O 2p and Cl 2p states. Meanwhile, the calculated birefringence of RbPb₈O₄Cl₉ is about 0.012 at 1064 nm. The compound is the first alkali metal lead oxyhalide, which enriches the structural diversity of oxyhalides and provides an insight for the exploration of new functional materials.

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DOI: https://doi.org/10.1039/D1DT02665H
Article type: Paper
Submitted: 10 Aug 2021
Accepted: 01 Sep 2021
First published: 02 Sep 2021

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Dalton Trans., 2021,50, 14038-14043

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RbPb₈O₄Cl₉: the first alkali metal lead oxyhalide with distorted [PbO₃Cl₃] and [PbOCl₅] mixed-anion groups

Z. Fan, C. Bai, H. Shi, M. Zhang, B. Zhang, J. Zhang and J. Li, Dalton Trans., 2021, 50, 14038 DOI: 10.1039/D1DT02665H

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Dalton Transactions

RbPb₈O₄Cl₉: the first alkali metal lead oxyhalide with distorted [PbO₃Cl₃] and [PbOCl₅] mixed-anion groups†

Abstract

Supplementary files

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RbPb₈O₄Cl₉: the first alkali metal lead oxyhalide with distorted [PbO₃Cl₃] and [PbOCl₅] mixed-anion groups

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