Hostname: page-component-848d4c4894-pftt2 Total loading time: 0 Render date: 2024-05-31T16:37:05.427Z Has data issue: false hasContentIssue false
  • English
  • Français

Novograblenovite from Radlin, Upper Silesia, Poland and its relation to ‘redikortsevite’

Published online by Cambridge University Press:  05 January 2021

Jan Parafiniuk ,
Marcin Stachowicz Open the ORCID record for Marcin Stachowicz [Opens in a new window]  and
Krzysztof Woźniak Open the ORCID record for Krzysztof Woźniak [Opens in a new window]
Jan Parafiniuk
Affiliation:
Institute of Geochemistry, Mineralogy and Petrology, Faculty of Geology, University of Warsaw, Żwirki i Wigury 93, 02-089Warsaw, Poland
Marcin Stachowicz*
Affiliation:
Institute of Geochemistry, Mineralogy and Petrology, Faculty of Geology, University of Warsaw, Żwirki i Wigury 93, 02-089Warsaw, Poland
Krzysztof Woźniak
Affiliation:
Department of Chemistry, University of Warsaw, Pasteura 1, 02-093Warszawa, Poland
*
*Author for correspondence: Marcin Stachowicz, Email: marcin.stachowicz@uw.edu.pl
Get access Rights & Permissions [Opens in a new window]

Abstract

The paper presents detailed mineralogical and structural characteristics of novograblenovite that occurs abundantly on a burning coal dump at Radlin, Upper Silesia, Poland. Our results indicate that NH4MgCl3⋅6H2O is the proper formula of this mineral. The thermal behaviour of novograblenovite shows a two-step dehydration at 155 and 193°C and sublimation of NH4Cl at 341°C. A Raman spectrum, obtained for the first time, reveals the normal modes of H2O and NH4+ vibrations. The crystal structure of novograblenovite was refined on the basis of high quality X-ray diffraction data. The final discrepancy factor wR2 was 0.0567 for 94 parameters and 1464 independent reflections. The structure has a monoclinic C2/c space group symmetry with the following unit cell parameters: a = 9.2709(3) Å, b = 9.5361(2) Å, c = 13.2741(4) Å and β = 90.054(3)°. We were able to specify the architecture of the disordered NH4+ cation located at the symmetry centre. This led to reasonable parameters for the H-bonding formed by this cation. In carnallite the K+ cations occupy an identical space to the ammonium ion in novograblenovite, but when embedded into the latter crystal structure it is bound less tightly. Voids occupy 14% of the space in the novograblenovite crystal structure. Novograblenovite is exactly the same phase as the ‘redikortsevite’ described previously from Chelabinsk coal dumps and this informally introduced name should be abandoned.

Keywords

burning coal dumpsammonium mineralcrystal structuredifferential thermal analysisRaman spectroscopynovograblenovite
Type
Article
Information
Mineralogical Magazine , Volume 85 , Issue 2 , April 2021 , pp. 132 - 141
Copyright
Copyright © The Author(s), 2021. Published by Cambridge University Press on behalf of The Mineralogical Society of Great Britain and Ireland

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Footnotes

Associate Editor: Mihoko Hoshino

References

Bader, R.F.W. (1994) Atoms in Molecules: A Quantum Theory. Clarendon Press, Oxford, UK, 438 pp.Google Scholar
Bader, R.F.W., Henneker, W.H. and Cade, P.E. (1967) Molecular charge distributions and chemical binding. The Journal of Chemical Physics, 46, 3341–3363.CrossRefGoogle Scholar
Chang, T.G. and Irish, D.E. (1973) Raman and infrared spectra study of magnesium nitrate-water systems. The Journal of Physical Chemistry, 77, 52–57.CrossRefGoogle Scholar
Chesnokov, B., Bazhenova, L., Shcherbakova, E., Michal, T. and Deriabina, T. (1988) New minerals from the burned dumps of the Chelyabinsk coal basin. Mineralogy, technogenesis and mineral-resource complexes of the Urals. Akademiya Nauk SSSR–Uralskoye Otdeleniye, 5, 31 [in Russian].Google Scholar
Clementi, E. and Roetti, C. (1974) Roothaan-Hartree-Fock atomic wavefunctions: Basis functions and their coefficients for ground and certain excited states of neutral and ionized atoms, Z≤ 54. Atomic Data and Nuclear Data Tables, 14, 177–478.CrossRefGoogle Scholar
Coppens, P. (1997) X-Ray Charge Densities and Chemical Bonding. Oxford University Press, Oxford, UK, 384 pp.CrossRefGoogle Scholar
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J., Howard, J.A.K. and Puschmann, H. (2009) OLEX2: a complete structure solution, refinement and analysis program. Journal of Applied Crystallography, 42, 339–341.CrossRefGoogle Scholar
Falk, M. and Knop, O. (1973) Water in stoichiometric hydrates. Pp. 55–113 in: Water in Crystalline Hydrates Aqueous Solutions of Simple Nonelectrolytes (Franks, F., editor). Water, Springer Boston, USA.Google Scholar
Haas, C. and Hornig, D. (1960) Inter-and Intramolecular Potentials and the Spectrum of Ice. The Journal of Chemical Physics, 32, 1763–1769.CrossRefGoogle Scholar
Hornig, D., White, H. and Reding, F. (1958) The infrared spectra of crystalline H2O, D2O and HDO. Spectrochimica Acta, 12, 338–349.CrossRefGoogle Scholar
Jambor, J.L. and Puziewicz, J. (1993) New Mineral Names. American Mineralogist, 78, 450–455.Google Scholar
Jørgensen, M.R.V., Skovsen, I., Clausen, H.F., Mi, J.-L., Christensen, M., Nishibori, E., Spackman, M.A. and Iversen, B.B. (2012) Application of atomic Hirshfeld surface analysis to intermetallic systems: is Mn in cubic CeMnNi4 a thermoelectric rattler atom? Inorganic Chemistry, 51, 1916–1924.CrossRefGoogle ScholarPubMed
Kastbjerg, S., Uvarov, C.A., Kauzlarich, S.M., Nishibori, E., Spackman, M.A. and Iversen, B.B. (2011) Multi-temperature synchrotron powder x-ray diffraction study and Hirshfeld surface Analysis of chemical bonding in the thermoelectric Zintl phase Yb14MnSb11. Chemistry of Materials, 23, 3723–3730.CrossRefGoogle Scholar
Kruszewski, Ł., Fabiańska, M.J., Ciesielczuk, J., Segit, T., Orłowski, R., Motyliński, R., Kusy, D. and Moszumańska, I. (2018) First multi-tool exploration of a gas-condensate-pyrolysate system from the environment of burning coal mine heaps: An in situ FTIR and laboratory GC and PXRD study based on Upper Silesian materials. Science of the Total Environment, 640–641, 1044–1071.CrossRefGoogle Scholar
Larkin, P. (2011) Infrared and Raman Spectroscopy; Principles and Spectral Interpretation. Elsevier, 240 pp.Google Scholar
Majzlan, J., Schlicht, H., Wierzbicka-Wieczorek, M., Giester, G., Pöllmann, H., Brömme, B., Doyle, S., Buth, G. and Koch C., Bender (2013) A contribution to the crystal chemistry of the voltaite group: solid solutions, Mössbauer and infrared spectra, and anomalous anisotropy. Mineralogy and Petrology, 107, 221–233.CrossRefGoogle Scholar
Marsh, R.E. (1992) Structure of MgCl2⋅RbCl⋅6H2O. Corrigendum. Acta Crystallographica, C48, 218–219.Google Scholar
McKinnon, J.J., Spackman, M.A. and Mitchell, A.S. (2004) Novel tools for visualizing and exploring intermolecular interactions in molecular crystals. Acta Crystallographica, B60, 627–668.CrossRefGoogle Scholar
Nakamoto, K. (2008) Infrared and Raman Spectra of Inorganic and Coordination Compounds. John Wiley & Sons, Inc., Hoboken, New Jersey, USA.Google Scholar
Okrugin, V.M., Kudaeva, S.S., Karimova, O.V., Yakubovich, O.V., Belakovskiy, D.I., Chukanov, N.V., Zolotarev, A.A., Gurzhiy, V.V., Zinovieva, N.G., Shiryaev, A.A. and Kartashov, P.M. (2017) Novograblenovite, IMA 2017-060. CNMNC Newsletter No. 39, October 2017, page 1284; Mineralogical Magazine, 81, 1279–1286.Google Scholar
Okrugin, V.M., Kudaeva, S.S., Karimova, O.V., Yakubovich, O.V., Belakovskiy, D.I., Chukanov, N.V., Zolotarev, A.A., Gurzhiy, V.V., Zinovieva, N.G., Shiryaev, A.A. and Kartashov, P.M. (2019) The new mineral novograblenovite, (NH4,K)MgCl3⋅6H2O from the Tolbachik volcano, Kamchatka, Russia: mineral description and crystal structure. Mineralogical Magazine, 83, 223–231.CrossRefGoogle Scholar
Parafiniuk, J. and Hatert, F. (2020) New IMA CNMNC guidelines on combustion products from burning coal dumps. European Journal of Mineralogy, 32, 215–217.CrossRefGoogle Scholar
Pekov, I.V., Krivovichev, S.V., Yapaskurt, V.O., Chukanov, N.V. and Belakovskiy, D.I. (2014) Beshtauite, (NH4)2(UO2)(SO4)2⋅2H2O, a new mineral from Mount Beshtau, Northern Caucasus, Russia. American Mineralogist, 99, 1783–1787.CrossRefGoogle Scholar
Pye, C.C. and Rudolph, W.W. (1998) An ab initio and Raman investigation of magnesium(II) hydration. The Journal of Physical Chemistry A, 102, 9933–9943.CrossRefGoogle Scholar
Schlemper, E.O., Gupta, P.K.S. and Zoltai, T. (1985) Refinement of the structure of carnallite, Mg(H2O)6KCl3. American Mineralogist, 70, 1309–1313.Google Scholar
Sheldrick, G.M. (2008) A short history of SHELX. Acta Crystallographica, A64, 112–122.CrossRefGoogle Scholar
Sheldrick, G.M. (2015) Crystal structure refinement with SHELXL. Acta Crystallographica, C71, 3–8.Google Scholar
Sindern, S., Warnsloh, J., Witzke, T., Havenith, V., Neef, R. and Etoundi, Y. (2005) Mineralogy and geochemistry of vents formed on the burning coal mining waste dump Anna I, Alsdorf, Germany. European Journal of Mineralogy, 17, 130.Google Scholar
Skovsen, I., Christensen, M., Clausen, H.F., Overgaard, J., Stiewe, C., Desgupta, T., Mueller, E., Spackman, M.A. and Iversen, B.B. (2010) Synthesis, crystal structure, atomic Hirshfeld surfaces, and physical properties of hexagonal CeMnNi4. Inorganic Chemistry, 49, 9343–9349.CrossRefGoogle ScholarPubMed
Solans, X., Font-Altaba, M., Aguiló, M., Solans, J. and Domenech, V. (1983) Crystal form and structure of ammonium hexaaquamagnesium trichloride, NH4[Mg(H2O)6]Cl3. Acta Crystallographica, C39, 1488–1490.Google Scholar
Spackman, M.A. (2013) Molecules in crystals. Physica Scripta, 87, 048103.CrossRefGoogle Scholar
Spackman, M.A. and Jayatilaka, D. (2009) Hirshfeld surface analysis. CrystEngComm, 11, 19–32.CrossRefGoogle Scholar
Spek, A.L. (2003) Single-crystal structure validation with the program PLATON. Journal of Applied Crystallography, 36, 7–13.CrossRefGoogle Scholar
Stachowicz, M., Malinska, M., Parafiniuk, J. and Woźniak, K. (2017) Experimental observation of charge-shift bond in fluorite CaF2. Acta Crystallographica, B73, 643–653.Google Scholar
Stracher, G.B., Prakash, A., Schroeder, P., McCormack, J., Zhang, X., Van Dijk, P. and Blake, D. (2005) New mineral occurrences and mineralization processes: Wuda coal-fire gas vents of Inner Mongolia. American Mineralogist, 90, 1729–1739.CrossRefGoogle Scholar
Turner, M.J., McKinnon, J.J., Jayatilaka, D. and Spackman, M.A. (2011) Visualisation and characterisation of voids in crystalline materials. CrystEngComm, 13, 1804–1813.CrossRefGoogle Scholar
Turner, M.J., McKinnon, J.J., Wolff, S.K., Grimwood, D.J., Spackman, P.R., Jayatilaka, D. and Spackman, M.A. (2017) CrystalExplorer17. University of Western Australia, Australia.Google Scholar
Žáček, V. and Ondruš, P. (1997) Mineralogy of recently formed sublimates from Kateřina colliery in Radvanice, Eastern Bohemia, Czech Republic. Věstník Českého geologického ústavu, 72, 289–302.Google Scholar
Zolotarev, A.A., Zhitova, E.S., Krzhizhanovskaya, M.G., Rassomakhin, M.A., Shilovskikh, V.V. and Krivovichev, S.V. (2019) Crystal chemistry and high-temperature behaviour of ammonium phases NH4MgCl3⋅6H2O and (NH4)2Fe3+Cl5⋅H2O from the burned dumps of the Chelyabinsk coal basin. Minerals, 9, 486.CrossRefGoogle Scholar
Supplementary material: File

Parafiniuk et al. supplementary material

Parafiniuk et al. supplementary material

Download Parafiniuk et al. supplementary material(File)
File 804.3 KB