Na3AMg7(PO4)6 (A = K, Rb and Cs): Structures, properties and theoretical studies of alkali metal magnesium orthophosphates

Jiahao Jiao,Wenqi Jin,Min Zhang,Zhihua Yang,Shilie Pan

Journal of Molecular Structure（2021）

引用 9|浏览12

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摘要

•Na3KMg7(PO4)6 and Na3CsMg7(PO4)6 were determined for the first time.•Theoretical calculations were performed to understand the electronic structures.•The title compounds melt congruently and exhibit a wide transparent range with the ultraviolet cut-off edge below 210 nm.Abstract

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关键词

Magnesium orthophosphates,X-ray diffraction,Thermal property,Electronic band structure,Optical property

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