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• W3185156674 startingPage "109853" @default.
• W3185156674 abstract "• High quality mixed-valence single crystals of hydrated iron hexafluoridotitanate (HITF) were obtained. • Crystal structures of RT and LT modifications of HITF with a transition from a disordered state to an ordered one were determined. • Hydrated iron and trivalent titanium octahedra occupy the cationic sublattice. • Three types of hydrogen bonds of the O–H•••F type are responsible for the thermal behavior of HITF. The digestion of the natural mineral ilmenite, FeTiO 3 , in hydrofluoric acid results in the formation of mixed-valency hydrated iron fluoridotitanate. High quality single crystals of the compound were obtained and their crystal structures at room temperature (RT, 296 K, trigonal, R 3 ¯ , Z = 3) and at 233 K, which is below the ferroelastic phase transition (271.5–275.5 K (LT), monoclinic P 2 1 / c or triclinic P 1 ¯ , Z = 2) were determined by X-ray diffraction. Both iron and titanium are present in a mixed-valency state. The cationic sublattice is characterized by the presence of hydrated [Fe(H 2 O) 6 ] 2+ , [Fe(H 2 O) 5 F] 2+ , and [Ti(H 2 O) 5 F] 2+ octahedra, while only [TiF 6 ] 2– octahedra form the anionic sublattice with partial isomorphous substitution of hydroxide ions for fluoride. The overall formula of the compound studied was determined to be {[Fe(H 2 O) 6 ] 1–x–y [Fe(H 2 O) 5 F] x [Ti(H 2 O) 5 F] y }[Ti(OH) z F 6–z ] (x, y ≤ 0.1; z ≤ 0.5). Its thermal behavior is characterized by two-stage dehydration followed by pyrohydrolysis with the HF evolution in accordance with the existence of three crystallographically distinct O–H•••F hydrogen bonds." @default.
• W3185156674 created "2021-08-02" @default.
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• W3185156674 date "2021-09-01" @default.
• W3185156674 modified "2023-10-14" @default.
• W3185156674 title "Mixed-valence hydrated iron fluoridotitanate: Crystal structure and thermal behavior" @default.
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• W3185156674 doi "https://doi.org/10.1016/j.jfluchem.2021.109853" @default.
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