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Hydrogen-bond system and dehydration behavior of the natural zeolite parthéite

  • Biljana Lazic EMAIL logo , Thomas Armbruster , Bernard W. Liebich and Lukas Perfler
Published/Copyright: April 2, 2015
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American Mineralogist
From the journal American Mineralogist Volume 97 Issue 11-12

Abstract

The crystal structure, including H positions, of the monoclinic zeolite mineral parthéite (space group C2/c) of framework type -PAR from Denezhkin Kamen (Urals, Russia) was refined, from single-crystal X-ray data to R1 = 3.46%. In addition, in situ single-crystal X-ray data have been measured in steps of 25 °C up to 375 °C to analyze dehydration behavior. In situ Raman spectra of the natural (room temperature) and partly dehydrated varieties of parthéite have been recorded at 100, 150, and 275 °C. The structure of parthéite, Ca2Al4Si4O15(OH)2⋅4H2O, is characterized by a tetrahedral framework interrupted by an OH-group forming the apex of one AlO4 tetrahedron. In addition, this OH-group coordinates extraframework Ca together with two H2O molecules and four framework oxygen sites. The structure has four strong hydrogen bonds with H···O interactions below 2 Å. The fifth hydrogen associated with a H2O molecule, exhibits two potential acceptors of weak hydrogen bonds with H···O distances of ca. 2.5 Å. This softly bound H2O molecule is released at 150 °C without severe impact on framework distortions but with decrease of Ca coordination from seven to six. Concurrently with loss of the second H2O molecule at 250 °C, the structure further compacts and becomes severely distorted. The space group C2/c and the tetrahedral connectivity are preserved but β changes from 91 to 79° and the volume drops from 1730 to 1600 Å3. Ca is still six-coordinated by five framework O atoms and OH.

Keywords : Zeolite; parthéite; hydrogen bonding; dehydration; Raman spectroscopy; crystal structure
Received: 2012-4-12
Accepted: 2012-7-9
Published Online: 2015-4-2
Published in Print: 2012-11-1

© 2015 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  1. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series
  2. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part I. Flux growth and chemical characterization
  3. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales
  4. CO2 solubility in primitive martian basalts similar to Yamato 980459, the effect of composition on CO2 solubility of basalts, and the evolution of the martian atmosphere
  5. New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2–x)Mg2Si2O7Hx
  6. Crystal structure refinements of borate dimorphs inderite and kurnakovite using 11B and 25Mg nuclear magnetic resonance and DFT calculations
  7. Hydrogen-bond system and dehydration behavior of the natural zeolite parthéite
  8. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
  9. LREE-redistribution among fluorapatite, monazite, and allanite at high pressures and temperatures
  10. A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F)
  11. Analyzing water contents in unexposed glass inclusions in quartz crystals
  12. The atomic structure of deuterated boyleite ZnSO4·4D2O, ilesite MnSO4·4D2O, and bianchite ZnSO4·6D2O
  13. Synthesis and crystal chemistry of Fe3+-bearing (Mg,Fe3+)(Si,Fe3+)O3 perovskite
  14. Mixed-layered structure formation during trans-vacant Al-rich illite partial dehydroxylation
  15. Structural regularities in 2M1 dioctahedral micas: The structure modeling approach
  16. Incorporation of Fe and Al in MgSiO3 perovskite: An investigation by 27Al and 29Si NMR spectroscopy
  17. In situ high-temperature Raman and FTIR spectroscopy of the phase transformation of lizardite
  18. Packing systematics and structural relationships of the new copper molybdate markascherite and related minerals
  19. On the origin of sellaite (MgF2)-rich deposits in Mg-poor environments
  20. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
  21. Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from the Bawana mine, Milford, Utah
  22. 2M1-phlogopite from Black Hills (South Australia): The first case of configurational polytype in micas
  23. Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
  24. First-principles study of self-diffusion and viscous flow in diopside (CaMgSi2O6) liquid
  25. Browneite, MnS, a new sphalerite-group mineral from the Zakłodzie meteorite
  26. Mineralogical variation of silica induced by Al and Na in hydrothermal solutions
https://doi.org/10.2138/am.2012.4197
Keywords for this article
Zeolite; parthéite; hydrogen bonding; dehydration; Raman spectroscopy; crystal structure

Articles in the same Issue

  1. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series
  2. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part I. Flux growth and chemical characterization
  3. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales
  4. CO2 solubility in primitive martian basalts similar to Yamato 980459, the effect of composition on CO2 solubility of basalts, and the evolution of the martian atmosphere
  5. New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2–x)Mg2Si2O7Hx
  6. Crystal structure refinements of borate dimorphs inderite and kurnakovite using 11B and 25Mg nuclear magnetic resonance and DFT calculations
  7. Hydrogen-bond system and dehydration behavior of the natural zeolite parthéite
  8. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
  9. LREE-redistribution among fluorapatite, monazite, and allanite at high pressures and temperatures
  10. A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F)
  11. Analyzing water contents in unexposed glass inclusions in quartz crystals
  12. The atomic structure of deuterated boyleite ZnSO4·4D2O, ilesite MnSO4·4D2O, and bianchite ZnSO4·6D2O
  13. Synthesis and crystal chemistry of Fe3+-bearing (Mg,Fe3+)(Si,Fe3+)O3 perovskite
  14. Mixed-layered structure formation during trans-vacant Al-rich illite partial dehydroxylation
  15. Structural regularities in 2M1 dioctahedral micas: The structure modeling approach
  16. Incorporation of Fe and Al in MgSiO3 perovskite: An investigation by 27Al and 29Si NMR spectroscopy
  17. In situ high-temperature Raman and FTIR spectroscopy of the phase transformation of lizardite
  18. Packing systematics and structural relationships of the new copper molybdate markascherite and related minerals
  19. On the origin of sellaite (MgF2)-rich deposits in Mg-poor environments
  20. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
  21. Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from the Bawana mine, Milford, Utah
  22. 2M1-phlogopite from Black Hills (South Australia): The first case of configurational polytype in micas
  23. Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
  24. First-principles study of self-diffusion and viscous flow in diopside (CaMgSi2O6) liquid
  25. Browneite, MnS, a new sphalerite-group mineral from the Zakłodzie meteorite
  26. Mineralogical variation of silica induced by Al and Na in hydrothermal solutions
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