Anionic Ordering and Thermal Properties of FeF3路3H2O

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• 作者：Mario Burbano ; Mathieu Duttine ; Olaf Borkiewicz ; Alain Wattiaux ; Alain Demourgues ; Mathieu Salanne ; Henri Groult ; Damien Dambournet
• 刊名：Inorganic Chemistry
• 出版年：2015
• 出版时间：October 5, 2015
• 年：2015
• 卷：54
• 期：19
• 页码：9619-9625
• 全文大小：485K
• ISSN：1520-510X

文摘

Iron fluoride trihydrate can be used to prepare iron hydroxyfluoride with the hexagonal鈥搕ungsten鈥揵ronze (HTB) type structure, a potential cathode material for batteries. To understand this phase transformation, a structural description of 尾-FeF₃路3H₂O is first performed by means of DFT calculations and M枚ssbauer spectroscopy. The structure of this compound consists of infinite chains of [FeF₆]_n and [FeF₂(H₂O)₄]_n. The decomposition of FeF₃路3H₂O induces a collapse and condensation of these chains, which lead to the stabilization, under specific conditions, of a hydroxyfluoride network FeF_3鈥?i>x(OH)_x with the HTB structure. The release of H₂O and HF was monitored by thermal analysis and physical characterizations during the decomposition of FeF₃路3H₂O. An average distribution of FeF₄(OH)₂ distorted octahedra in HTB-FeF_3鈥?i>x(OH)_x was obtained subsequent to the thermal hydrolysis/olation of equatorial anionic positions involving F^{鈥?/sup> and H₂O. This study provides a clear understanding of the structure and thermal properties of FeF₃路3H₂O, a material that can potentially bridge the recycling of pickling sludge from the steel industry by preparing battery electrodes.}