960化工网
RbPb8O4Cl9: the first alkali metal lead oxyhalide with distorted [PbO3Cl3] and [PbOCl5] mixed-anion groups†
Zhongxu Fan,Hongsheng Shi,Min Zhang,Bei Zhang,Jun Zhang,Junjie Li
Dalton Transactions Pub Date : 09/02/2021 00:00:00 , DOI:10.1039/D1DT02665H
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.

Graphical abstract: RbPb8O4Cl9: the first alkali metal lead oxyhalide with distorted [PbO3Cl3] and [PbOCl5] mixed-anion groups
平台客服
平台客服
平台在线客服