Syntheses and Crystal Structures of Two AlxRE3(Si1-yAly)S7 (RE = Sm and Gd) Compounds

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摘要

Two new quaternary rare-earth chalcogenides, Al0.42Sm3(Si0.74Al0.26)S7 (1) and Al0.38Gd3(Si0.86Al0.14)S7 (2), have been synthesized by a facile solid-state route with boron as the reducing reagent. They crystallize in the noncentrosymmetric hexagonal space group P63, belonging to the Ce6Al3.33S14 structure-type. Their 3-D structures feature 3-D frameworks constructed by RES8 bicapped trigonal prisms, and Al and Si occupy the octahedral and tetrahedral voids, respectively. Al(2) and Si(1) co-occupying the 2b site and Al(1) partially occupying the 2a site have to be considered for the stability of the structures and charge balances. The Ce6Al3.33S14 structure-type compounds with their rich compositions and traits are discussed. The diffuse reflectance spectrum measurement of 2 indicates that it has an energy gap of 2.13 eV.

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	迟洋
	郭胜平

关键词 ： rare-earth chalcogenides, solid-state reaction, crystal structure, energy gap

Abstract：Two new quaternary rare-earth chalcogenides, Al0.42Sm3(Si0.74Al0.26)S7 (1) and Al0.38Gd3(Si0.86Al0.14)S7 (2), have been synthesized by a facile solid-state route with boron as the reducing reagent. They crystallize in the noncentrosymmetric hexagonal space group P63, belonging to the Ce6Al3.33S14 structure-type. Their 3-D structures feature 3-D frameworks constructed by RES8 bicapped trigonal prisms, and Al and Si occupy the octahedral and tetrahedral voids, respectively. Al(2) and Si(1) co-occupying the 2b site and Al(1) partially occupying the 2a site have to be considered for the stability of the structures and charge balances. The Ce6Al3.33S14 structure-type compounds with their rich compositions and traits are discussed. The diffuse reflectance spectrum measurement of 2 indicates that it has an energy gap of 2.13 eV.

Key words： rare-earth chalcogenides solid-state reaction crystal structure energy gap

收稿日期: 2015-09-16 出版日期: 2016-03-11

基金资助:

This research was supported by the Higher Education Science Foundation of Jiangsu Province (No. 15KJB150031), State Key Laboratory
of Structural Chemistry (No. 20150009) and the Priority Academic Program Development of Jiangsu Higher Education Institutions
We would also like to acknowledge the technical support received from the Testing Center of Yangzhou University

通讯作者: spguo@yzu.edu.cn E-mail: spguo@yzu.edu.cn

引用本文:

迟洋;郭胜平. Syntheses and Crystal Structures of Two AlxRE3(Si1-yAly)S7 (RE = Sm and Gd) Compounds[J]. 结构化学, 2016, 35(3): 341-347.
CHI Yang;GUO Sheng-Ping. Syntheses and Crystal Structures of Two AlxRE3(Si1-yAly)S7 (RE = Sm and Gd) Compounds. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2016, 35(3): 341-347.

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http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2016/V35/I3/341

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