Structure refinement, hydrogen-bond system and vibrational spectroscopy of hohmannite, Fe3+2 [O(SO4)2]·8H2O

Ventruti, Gennaro; Ventura, Giancarlo Della; Orlando, Roberto; Scordari, Fernando

doi:10.1180/minmag.2015.079.1.02

Cited by 7 publications

(1 citation statement)

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“…9). No bands are observed at wavenumbers > 5000 cm −1 , ruling out any presence of H 2 O molecules in the structure (Della Ventura et al 2009Ventruti et al 2015Ventruti et al , 2018. Considering a single OH ν 3 at 3454 cm −1 , an OH libration around 1020 cm −1 is expected based on the spectrum of Fig.…”

Section: Heating Experiments On Feohso 4 : Tg and Xrpdmentioning

confidence: 79%

High-temperature study of basic ferric sulfate, FeOHSO4

et al. 2020

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We report in this paper a new crystal-chemical study of synthetic basic ferric sulfate FeOHSO4. The structure solution performed by the Endeavour program, from new X-ray powder diffraction (XRPD) data, indicated that the correct space group of the monoclinic polytype of FeOHSO4 is C2/c. Selected Area Electron Diffraction (SAED) patterns are also consistent with this structure solution. The arrangement of Fe and S atoms, based on linear chains of Fe3+ octahedra cross-linked by SO4 tetrahedra, corresponds to that of the order/disorder (OD) family. The positions of the hydrogen atoms were located based on DFT calculations. IR and Raman spectra are presented and discussed according to this new structure model. The decomposition of FeOHSO4 during heating was further investigated by means of variable temperature XRPD, thermogravimetry, and differential thermal analysis as well as IR and Raman spectroscopies.

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Section: Heating Experiments On Feohso 4 : Tg and Xrpdmentioning

confidence: 79%

High-temperature study of basic ferric sulfate, FeOHSO4

et al. 2020

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Raman Spectra of Minerals

Чуканов

Вигасина

2019

Vibrational (Infrared and Raman) Spectra of Minerals and Related Compounds

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In situ high-temperature X-ray diffraction and spectroscopic study of fibroferrite, FeOH(SO4)·5H2O

et al. 2016

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The thermal dehydration process of fibroferrite, FeOH(SO4)·5H2O, a secondary iron-bearing hydrous sulfate, was investigated by in situ high-temperature synchrotron X-ray powder diffraction (HT-XRPD), in situ high-temperature Fourier transform infrared spectroscopy (HT-FTIR) and thermal analysis (TGA-DTA) combined with evolved gas mass spectrometry. The data analysis allowed the determination of the stability fields and the reaction paths for this mineral as well as characterization of its high-temperature products. Five main endothermic peaks are observed in the DTA curve collected from room T up to 800 °C. Mass spectrometry of gases evolved during thermogravimetric analysis confirms that the first four mass loss steps are due to water emission, while the fifth is due to a dehydroxylation process; the final step is due to the decomposition of the remaining sulfate ion. The temperature behavior of the different phases occurring during the heating process was analyzed, and the induced structural changes are discussed. In particular, the crystal structure of a new phase, FeOH(SO4)·4H2O, appearing at about 80 °C due to release of one interstitial H2O molecule, was solved by ab initio real-space and reciprocal-space methods. This study contributes to further understanding of the dehydration mechanism and thermal stability of secondary sulfate minerals

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Structure refinement, hydrogen-bond system and vibrational spectroscopy of hohmannite, Fe^³⁺₂ [O(SO₄)₂]·8H₂O

Cited by 7 publications

References 37 publications

High-temperature study of basic ferric sulfate, FeOHSO4

High-temperature study of basic ferric sulfate, FeOHSO4

Raman Spectra of Minerals

In situ high-temperature X-ray diffraction and spectroscopic study of fibroferrite, FeOH(SO4)·5H2O

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