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Inorg Chem. 2017 Mar 6;56(5):3081-3086. doi: 10.1021/acs.inorgchem.7b00036. Epub 2017 Feb 22.

Structure and Characterization of a Zero-Dimensional Alkali Tin Dihalides Compound Cs3Sn3F2Cl7 with the [Sn2F2Cl4]2- Clusters.

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Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, China.
University of the Chinese Academy of Sciences , Beijing 100049, China.
School of Materials Science and Technology, China University of Geosciences Beijing , Beijing 100083, China.


A new perovskite stoichiometric alkali tin dihalides compound, Cs3Sn3F2Cl7, is synthesized by a hydrothermal method. This compound belongs to the monoclinic space group of P21/c with cell parameters of a = 9.5645(4) Å, b = 14.2057(7) Å, c = 13.5828(6) Å, and β = 93.2450(10)°. Unlike the common perovskites in which octahedra are interconnected to be a three-dimensional network, Cs3Sn3F2Cl7 possesses a zero-dimensional structure consisting of Cs+ cations, isolated [SnCl3]- trigonal pyramids, and dimer structural units [Sn2F2Cl4]2-; the latter microscopic unit is found for the first time. The thermal stability and UV-vis-NIR diffuse reflectance spectroscopy in Cs3Sn3F2Cl7 are measured, and the electronic structure is calculated. Interestingly, the 5s2 lone-pair electrons on Sn2+ cations are stereochemically active, which results in a pretty good photocatalytic activity of the title compound.

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