Plášil, J., Škoda, R., Fejfarová, K., Čejka, J., Kasatkin, A. V., Dušek, M., Talla, D., Lapčák, L., Machovič, V., Dini, M. (2014) Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile: Single-crystal X-ray diffraction and vibrational spectroscopic study. Mineralogical Magazine, 78 (3) 535-547 doi:10.1180/minmag.2014.078.3.04
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile: Single-crystal X-ray diffraction and vibrational spectroscopic study | ||
| Journal | Mineralogical Magazine | ||
| Authors | Plášil, J. | Author | |
| Škoda, R. | Author | ||
| Fejfarová, K. | Author | ||
| Čejka, J. | Author | ||
| Kasatkin, A. V. | Author | ||
| Dušek, M. | Author | ||
| Talla, D. | Author | ||
| Lapčák, L. | Author | ||
| Machovič, V. | Author | ||
| Dini, M. | Author | ||
| Year | 2014 (June) | Volume | 78 |
| Issue | 3 | ||
| Publisher | Mineralogical Society | ||
| Download URL | https://rruff.info/rruff_1.0/uploads/MM78_535.pdf+ | ||
| DOI | doi:10.1180/minmag.2014.078.3.04Search in ResearchGate | ||
| Generate Citation Formats | |||
| Classification | Not set | LoC | Not set |
| Mindat Ref. ID | 244517 | Long-form Identifier | mindat:1:5:244517:9 |
| GUID | 0 | ||
| Full Reference | Plášil, J., Škoda, R., Fejfarová, K., Čejka, J., Kasatkin, A. V., Dušek, M., Talla, D., Lapčák, L., Machovič, V., Dini, M. (2014) Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile: Single-crystal X-ray diffraction and vibrational spectroscopic study. Mineralogical Magazine, 78 (3) 535-547 doi:10.1180/minmag.2014.078.3.04 | ||
| Plain Text | Plášil, J., Škoda, R., Fejfarová, K., Čejka, J., Kasatkin, A. V., Dušek, M., Talla, D., Lapčák, L., Machovič, V., Dini, M. (2014) Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile: Single-crystal X-ray diffraction and vibrational spectroscopic study. Mineralogical Magazine, 78 (3) 535-547 doi:10.1180/minmag.2014.078.3.04 | ||
| Abstract/Notes | The natural hydroniumjarosite sample from Cerros Pintados (Chile) was investigated by electron microprobe, single-crystal X-ray diffraction and vibrational spectroscopy (Infrared and Raman). The chemical composition of studied specimens (wt.%, mean of seven analyses) obtained from electron microprobe (in wt.%): Na2O 1.30, K2O 0.23, CaO 0.04, Fe2O350.49, Al2O30.37, SiO20.33, SO333.88, H2O (calculated on the basis of Σ(OH–+H3O+) deduced from the charge balance) 13.32, total 99.98, corresponds to the empirical formula (H3O)0.77+(Na0.20K0.02)∑0.22(Fe2.95Al0.03)∑2.98(OH)6.12[(SO4)1.97(SiO4)0.03]∑2.00(calculated on the basis of S + Si = 2 a.p.f.u. (atoms per formula unit)). The studied hydroniumjarosite is trigonal, with space groupRm, witha= 7.3408(2),c= 17.0451(6) Å andV= 795.46(4) Å3. The refined structure architecture is consistent with known jarosite-series minerals, including synthetic hydroniumjarosite. However, in the current study the presence of H3O+is well documented in difference Fourier maps, where characteristic positive difference Fourier maxima, with apparent trigonal symmetry, were localized in the vicinity of the O4 atom in the channel-voids of the structure. The structure of natural hydroniumjarosite, including the H atoms, was refined toR1= 0.0166 for 2113 unique observed reflections, withIobs>3σ(I). The present structure model, which includes the position of the H atom within the hydronium ion, is discussed with regard to the vibration spectroscopy results and earlier published density-functional theory (DFT) calculations for the alunite-like structure containing H3O+. | ||
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