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Hydrogen-bond and cation partitioning in muscovite: A single-crystal neutron-diffraction study at 295 and 20 K

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Published/Copyright: April 2, 2015
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American Mineralogist
From the journal American Mineralogist Volume 96 Issue 1

Abstract

The crystal chemistry of a pegmatitic Fe-bearing muscovite (with FeO ~5.1 wt%) from Val di Crana, Arvogno (Verbania, Nothern Italy) has been investigated by means of wavelength-dispersive X-ray spectroscopy and constant-wavelength [λ = 0.9462(2) Å] single-crystal neutron diffraction at 295 and 20 K (2θmax = 90°). The structure refinement at 295 K shows no significant deviation from the full occupancy of the K site (using the scattering length of potassium alone), and a disordered Si/Aldistribution in the two independent tetrahedral sites (i.e., T1 and T2) and Fe/Al-distribution in the M2 octahedral site. The difference Fourier map of the nuclear density shows that only one independent H site occurs in the muscovite structure, at both room and low temperature. No evidence of disorder in two sub-sites, as observed in a previous study, was found. The thermal displacement of the H site is here described anisotropically. A trifurcated hydrogen bonding scheme was found: the O6-H bond distance corrected for “riding motion” is ~0.984 Å at 295 K, and three significantly weak hydrogen bonds to the O atoms O2, O4, and O6 occur, with H···O2 = 2.635(5), H···O4 = 2.657(4), and H···O5 = 2.647(4) Å and O6-H···O angles all similar in value (~138°). The structure refinements show that the structure configuration of muscovite is maintained at least down to 20 K: the cation disordering in the tetrahedral and octahedral site and the H-bonding scheme are preserved. The structural evolution induced by decreasing temperature is governed by the contraction along a direction perpendicular to (001), mainly due to the compression of the “inner” K-O bonds, which leads to an increase of the tetrahedral rotation angle (α) of the six-membered ring. A further effect in response to lowering the temperature is a significant reduction of the magnitude of the thermal displacement parameters.

Keywords : Muscovite; crystal chemistry; single-crystal neutron diffraction; hydrogen bonding
Received: 2010-05-05
Accepted: 2010-07-24
Published Online: 2015-04-02
Published in Print: 2011-01-01

© 2015 by Walter de Gruyter Berlin/Boston

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  2. Luminescence of diamonds from metamorphic rocks
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  4. Hydrogen-bond and cation partitioning in muscovite: A single-crystal neutron-diffraction study at 295 and 20 K
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  14. In situ bubble vesiculation in silicic magmas
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  18. A 94-layer long-period mica polytype: A TEM study
  19. The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites
  20. Vorlanite (CaU6+)O4—A new mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia
  21. The structure of braitschite, a calcium rare earth borate
  22. Alteration of dehydrated schoepite and soddyite to studtite, [(UO2)(O2)(H2O)2](H2O)2
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https://doi.org/10.2138/am.2011.3595
Keywords for this article
Muscovite; crystal chemistry; single-crystal neutron diffraction; hydrogen bonding

Articles in the same Issue

  1. A mineralogical, geochemical, and microbiogical assessment of the antimony- and arsenic-rich neutral mine drainage tailings near Pezinok, Slovakia
  2. Luminescence of diamonds from metamorphic rocks
  3. Crystal chemistry of Th in fluorapatite
  4. Hydrogen-bond and cation partitioning in muscovite: A single-crystal neutron-diffraction study at 295 and 20 K
  5. Spectroscopic characterization of transition metal impurities in natural montebrasite/amblygonite
  6. An assessment of the potential benefits of ion implants as trace-element reference material for electron probe X-ray microanalysis: The case of invisible gold
  7. The incorporation of hydroxyl into zircon
  8. Association between phosphorus and iron oxides in manganese ores
  9. Equation of state of carbonated hydroxylapatite at ambient temperature up to 10 GPa: Significance of carbonate
  10. Monoclinic tridymite in clast-rich impact melt rock from the Chesapeake Bay impact structure
  11. Phase boundary between perovskite and post-perovskite structures in MnGeO3 determined by in situ X-ray diffraction measurements using sintered diamond anvils
  12. Hydrogenation of FeSi under high pressure
  13. Fe-Ti oxide-silicate (QUIlF-type) equilibria in feldspathoid-bearing systems
  14. In situ bubble vesiculation in silicic magmas
  15. First-principles calculation of the elastic moduli of sheet silicates and their application to shale anisotropy
  16. A new semi-micro wet chemical method for apatite analysis and its application to the crystal chemistry of fluorapatite-chlorapatite solid solutions
  17. New insight into the structural transformation of partially dehydroxylated pyrophyllite
  18. A 94-layer long-period mica polytype: A TEM study
  19. The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites
  20. Vorlanite (CaU6+)O4—A new mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia
  21. The structure of braitschite, a calcium rare earth borate
  22. Alteration of dehydrated schoepite and soddyite to studtite, [(UO2)(O2)(H2O)2](H2O)2
  23. A reinvestigation of smectite illitization in experimental hydrothermal conditions: Results from X-ray diffraction and transmission electron microscopy
  24. Letter. The elastic properties of diopside, CaMgSi2O6
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