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Fluorellestadite from burned coal dumps: crystal structure refinement, vibrational spectroscopy data and thermal behavior

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Abstract

Nine different samples of fluorellestadite from Chelyabinsk, Kizel and Kuznetsk coal basins were studied by single-crystal X-ray diffraction analysis, thermal X-ray diffraction (25–800 °C), Infrared (IR) and Raman spectroscopy. Fluorellestadite is hexagonal, space group P63/m, the unit-cell parameters for the nine samples studied vary within rather small ranges: a = 9.415(5) – 9.4808(7) Å, c = 6.906(2) – 6.938(8) Å, V = 530.3(4) – 538.41(9) Å3. The mineral is isotypic with apatite, the structure is based upon isolated TO4 tetrahedra, where the T position is statistically occupied by Si4+ and S6+ with the ideal ratio Si:S equal to 1:1. The fluorine atoms are located in channels of the Ca4[(S,Si)O4]6 framework oriented parallel to the c axis. The thermal expansion of fluorellestadite is almost isotropic in the temperature range 25–800 °C (for ambient temperature: αa = 12.0·10−6 °C−1, αc = 11.9·10−6 °C−1; for 800 °C: αa = 18.2·10−6 °C−1, αc = 18.6·10−6 °C−1). A similar thermal behavior had been observed for fluorapatite. Despite the same structure motifs and close conditions of formation, the samples of fluorellestadite show different S/Si/P occupancies for T site and the F/Cl/OH (X-position) ratios.

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Acknowledgments

The study was supported by the Russian Foundation for Basic Research (grant № 19-05-00628). The work of E. Sokol and S. Kokh was supported through the state assignment of Institute of Geology and Mineralogy SB RAS.

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Authors and Affiliations

  1. Institute of Earth Sciences, St. Petersburg State University, University Emb. 7/9, 199034, St. Petersburg, Russia

    Margarita S. Avdontceva, Andrey A. Zolotarev Jr, Sergey V. Krivovichev, Maria G. Krzhizhanovskaya & Anatoly A. Zolotarev

  2. Federal Research Center, Kola Science Center, Russian Academy of Sciences, Fersmana str. 14, 184209, Apatity, Russia

    Sergey V. Krivovichev

  3. V.S. Sobolev Institute of Geology and Mineralogy, Ac. Koptyuga avenue 3, 630090, Novosibirsk, Russia

    Ella V. Sokol & Svetlana N. Kokh

  4. Geomodel Research Centre, St. Petersburg State University, University Emb. 7/9, 199034, St. Petersburg, Russia

    Vladimir N. Bocharov

  5. South Urals Federal Research Center of Mineralogy and Geoecology of UB RAS, 456317, Miass, Russia

    Mikhail A. Rassomakhin

Authors
  1. Margarita S. Avdontceva
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  2. Andrey A. Zolotarev Jr
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  3. Sergey V. Krivovichev
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  4. Maria G. Krzhizhanovskaya
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  5. Ella V. Sokol
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  6. Svetlana N. Kokh
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  7. Vladimir N. Bocharov
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  8. Mikhail A. Rassomakhin
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  9. Anatoly A. Zolotarev
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Correspondence to Margarita S. Avdontceva.

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Avdontceva, M.S., Zolotarev, A.A., Krivovichev, S.V. et al. Fluorellestadite from burned coal dumps: crystal structure refinement, vibrational spectroscopy data and thermal behavior. Miner Petrol 115, 271–281 (2021). https://doi.org/10.1007/s00710-021-00740-4

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