A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification

Abstract Iron phosphates are a wide group of compounds that possess versatile applications. Their properties are strongly dependent on the role and position of iron in their structure. Iron, because of its chemical character, is able to easily change its redox state and accommodate different chemica...

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Autores principales:	Pawel Goj, Aleksandra Wajda, Artur Błachowski, Pawel Stoch
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/b370bf53bdfb4a0a85b02c12df022fac
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spelling	oai:doaj.org-article:b370bf53bdfb4a0a85b02c12df022fac2021-11-28T12:17:48ZA new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification10.1038/s41598-021-02471-02045-2322https://doaj.org/article/b370bf53bdfb4a0a85b02c12df022fac2021-11-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-02471-0https://doaj.org/toc/2045-2322Abstract Iron phosphates are a wide group of compounds that possess versatile applications. Their properties are strongly dependent on the role and position of iron in their structure. Iron, because of its chemical character, is able to easily change its redox state and accommodate different chemical surroundings. Thus, iron-phosphate crystallography is relatively complex. In addition, the compounds possess intriguing magnetic and electric properties. In this paper, we present crystal structure properties of a newly developed iron-phosphate compound that was obtained by devitrification from iron-phosphate glass of pyrophosphate stoichiometry. Based on X-ray diffraction (XRD) studies, the new compound (Fe7P11O38) was shown to adopt the hexagonal space group P63 (No. 173) in which iron is present as Fe3+ in two inequivalent octahedral and one tetrahedral positions. The results were confirmed by Raman and Mössbauer spectroscopies, and appropriate band positions, as well as hyperfine interaction parameters, are assigned and discussed. The magnetic and electric properties of the compound were predicted by ab initio simulations. It was observed that iron magnetic moments are coupled antiferromagnetically and that the total magnetic moment of the unit cell has an integer value of 2 µB. Electronic band structure calculations showed that the material has half-metallic properties.Pawel GojAleksandra WajdaArtur BłachowskiPawel StochNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Pawel Goj Aleksandra Wajda Artur Błachowski Pawel Stoch A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification
description	Abstract Iron phosphates are a wide group of compounds that possess versatile applications. Their properties are strongly dependent on the role and position of iron in their structure. Iron, because of its chemical character, is able to easily change its redox state and accommodate different chemical surroundings. Thus, iron-phosphate crystallography is relatively complex. In addition, the compounds possess intriguing magnetic and electric properties. In this paper, we present crystal structure properties of a newly developed iron-phosphate compound that was obtained by devitrification from iron-phosphate glass of pyrophosphate stoichiometry. Based on X-ray diffraction (XRD) studies, the new compound (Fe7P11O38) was shown to adopt the hexagonal space group P63 (No. 173) in which iron is present as Fe3+ in two inequivalent octahedral and one tetrahedral positions. The results were confirmed by Raman and Mössbauer spectroscopies, and appropriate band positions, as well as hyperfine interaction parameters, are assigned and discussed. The magnetic and electric properties of the compound were predicted by ab initio simulations. It was observed that iron magnetic moments are coupled antiferromagnetically and that the total magnetic moment of the unit cell has an integer value of 2 µB. Electronic band structure calculations showed that the material has half-metallic properties.
format	article
author	Pawel Goj Aleksandra Wajda Artur Błachowski Pawel Stoch
author_facet	Pawel Goj Aleksandra Wajda Artur Błachowski Pawel Stoch
author_sort	Pawel Goj
title	A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification
title_short	A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification
title_full	A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification
title_fullStr	A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification
title_full_unstemmed	A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification
title_sort	new iron-phosphate compound (fe7p11o38) obtained by pyrophosphate stoichiometric glass devitrification
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/b370bf53bdfb4a0a85b02c12df022fac
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A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification

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