Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3.
Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3.
复制标题
铁基偏磷酸钠化合物NaFe(PO3)3的合成和结构数据
DOI：
10.1016/j.dib.2015.05.022
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发表时间：
2015-09
期刊：
影响因子：
1.2
通讯作者：
Kuang Q
中科院分区：
文献类型：
--
作者：
Lin X;Zhao Y;Dong Y;Kuang Q
这篇数据文章包含一种新的铁基偏磷酸钠化合物的合成和结构信息，与Lin等人的研究文章“偏磷酸亚铁钠NaFe（PO 3）3的合成、结构、磁性和钠脱嵌/插入性质”相关。本文报道了一种新的铁基偏磷酸盐化合物NaFe（PO 3）3，它是在探索钠离子电池新型电极材料的过程中发现的。在这篇数据文章中，将提供这种偏磷酸盐化合物的合成过程和所得样品的形貌。采用高功率XRD Rietveld精修法对该偏磷酸盐化合物的晶体结构进行了测定，精修结果包括主要的精修参数、原子坐标和一些重要的晶格参数存储在CIF文件中。并对优化后的结构进行了checkcif报告评价，评价结果作为补充资料。
This data article contains the synthesis and structure information of a new Fe-base sodium metaphosphate compound, which is related to the research article entitled ‘Synthesis, structural, magnetic and sodium deinsertion/insertion properties of a sodium ferrous metaphosphate, NaFe(PO3)3’ by Lin et al.. The research article has reported a new Fe-base metaphosphate compound NaFe(PO3)3, which is discovered during the exploration of the new potential electrode materials for sodium-ion batteries. In this data article, the synthesized process of this metaphosphate compound and the morphology of the obtained sample will be provided. The high-power XRD Rietveld refinement is applied to determine the crystal structure of this metaphosphate compound and the refinement result including the main refinement parameters, atomic coordinate and some important lattace parameters are stored in the cif file. Also, the refined structure has be evaluated by checkcif report and the result is also provided as the supplementary materials.