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Minerals 2018, 8(8), 340; https://doi.org/10.3390/min8080340

Dynamic Disorder of Fe3+ Ions in the Crystal Structure of Natural Barioferrite

1
Faculty of Earth Sciences, University of Silesia, Będzińska 60, 41-200 Sosnowiec, Poland
2
Kola Science Centre, Russian Academy of Sciences, 14 Fersman street, Apatity 184200, Russia
*
Author to whom correspondence should be addressed.
Received: 13 July 2018 / Revised: 3 August 2018 / Accepted: 6 August 2018 / Published: 8 August 2018
(This article belongs to the Special Issue New Mineral Species and Their Crystal Structures)
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Abstract

A natural barioferrite, BaFe3+12O19, from a larnite–schorlomite–gehlenite vein of paralava within gehlenite hornfels of the Hatrurim Complex at Har Parsa, Negev Desert, Israel, was investigated by Raman spectroscopy, electron probe microanalysis, and single-crystal X-ray analyses acquired over the temperature range of 100–400 K. The crystals are up to 0.3 mm × 0.1 mm in size and form intergrowths with hematite, magnesioferrite, khesinite, and harmunite. The empirical formula of the barioferrite investigated is as follows: (Ba0.85Ca0.12Sr0.03)∑1(Fe3+10.72Al0.46Ti4+0.41Mg0.15Cu2+0.09Ca0.08Zn0.04Mn2+0.03Si0.01)∑11.99O19. The strongest bands in the Raman spectrum are as follows: 712, 682, 617, 515, 406, and 328 cm−1. The structure of natural barioferrite (P63/mmc, a = 5.8901(2) Å, c = 23.1235(6) Å, V = 694.75(4) Å3, Z = 2) is identical with the structure of synthetic barium ferrite and can be described as an interstratification of two fundamental blocks: spinel-like S-modules with a cubic stacking sequence and R-modules that have hexagonal stacking. The displacement ellipsoids of the trigonal bipyramidal site show elongation along the [001] direction during heating. As a function of temperature, the mean apical Fe–O bond lengths increase, whereas the equatorial bond lengths decrease, which indicates dynamic disorder at the Fe2 site. View Full-Text
Keywords: barioferrite; crystal structure; single-crystal investigation; Raman; Hatrurim Complex barioferrite; crystal structure; single-crystal investigation; Raman; Hatrurim Complex
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Krzątała, A.; Panikorovskii, T.L.; Galuskina, I.O.; Galuskin, E.V. Dynamic Disorder of Fe3+ Ions in the Crystal Structure of Natural Barioferrite. Minerals 2018, 8, 340.

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