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.

Ventruti, G., Della Ventura, G., Gomez, M., Capitani, G., Sbroscia, M., Sodo, A. (2020). High-temperature study of basic ferric sulfate, FeOHSO4. PHYSICS AND CHEMISTRY OF MINERALS, 47(10) [10.1007/s00269-020-01113-7].

High-temperature study of basic ferric sulfate, FeOHSO4

Capitani G.;
2020

Abstract

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.
Articolo in rivista - Articolo scientifico
Crystal structure; HT-FTIR; Raman; Sulfate; Thermal stability
English
1-ott-2020
2020
47
10
43
open
Ventruti, G., Della Ventura, G., Gomez, M., Capitani, G., Sbroscia, M., Sodo, A. (2020). High-temperature study of basic ferric sulfate, FeOHSO4. PHYSICS AND CHEMISTRY OF MINERALS, 47(10) [10.1007/s00269-020-01113-7].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/292281
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