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Effect of A-site cation radius on ordering of BX6 octahedra in (K,Na)MgF3 perovskite

  • C. David Martin EMAIL logo , Santanu Chaudhur , Clare P. Grey and John B. Parise
Published/Copyright: March 28, 2015
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American Mineralogist
From the journal American Mineralogist Volume 90 Issue 10

Abstract

We present a structural model for (K,Na)MgF3 perovskite using results from high-resolution synchrotron X-ray powder diffraction and nuclear magnetic resonance (NMR) spectroscopy. (K,Na)MgF3 perovskite is found to transition from orthorhombic (Pbnm) to tetragonal (P4/mbm) to cubic (Pm3̅m) as potassium concentration is increased. These phase transitions are not accompanied by a discontinuity in pseudo-cubic unit-cell volume and occur close to compositions (K0.37Na0.63)MgF3 and (K0.47Na0.53)MgF3, respectively. 19F NMR spectra indicate that the Na+ and K+ cations do not occupy the A cation site at random and end-member local environments are favored for all compositions. Based on results from both X-ray diffraction and NMR, we propose that diffuse diffraction is the result of strain between coexisting regions of different octahedra (MgF6) tilts brought about by the ionic radius mismatch of Na+ and K+ cations. We suggest A-site cations group with like cations as neighbors to reduce excess volume and total strain.

Received: 2004-4-29
Accepted: 2005-2-11
Published Online: 2015-3-28
Published in Print: 2005-10-1

© 2015 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  1. Presidential Address To The Mineralogical Society Of Amrica, Boston, November 6, 2001: Some Precambrian Banded Iron-Formations (BiIFs) From Around The World: Their Age, Geologic Setting, Mineralogy, Metamorphism, Geochemistry, And Origin
  2. Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa
  3. Raman spectroscopy and vibrational analyses of albite: From 25 °C through the melting temperature
  4. A new occurrence of xitieshanite [Fe3+(SO4)Cl⋅6H2O] crystals in acid-mine seepways, Green Valley, Vigo County, Indiana, U.S.A.
  5. Effect of A-site cation radius on ordering of BX6 octahedra in (K,Na)MgF3 perovskite
  6. Crystal chemistry of NaMgF3 perovskite at high pressure and temperature
  7. Hyperfine electric field gradient tensors at Fe2+ sites in octahedral layers: Toward understanding oriented single-crystal Mössbauer spectroscopy measurements of micas
  8. Does the bazhenovite structure really contain a thiosulfate group? A structural and spectroscopic study of a sample from the type locality
  9. Light-induced degradation dynamics in realgar: in situ structural investigation using single-crystal X-ray diffraction study and X-ray photoelectron spectroscopy
  10. Absolute quantification by powder X-ray diffraction of complex mixtures of crystalline and amorphous phases for applications in the Earth sciences
  11. Detrital illite crystals identified from crystallite thickness measurements in siliciclastic sediments
  12. High-temperature density of lanthanide-bearing Na-silicate melts: Partial molar volumes for Ce2O3, Pr2O3, Nd2O3, Sm2O3, Eu2O3, Gd2O3, Tb2O3, Dy2O3, Ho2O3, Er2O3, Tm2O3, and Yb2O3
  13. Coupled dichotomies of apatite and fluid composition during contact metamorphism of siliceous carbonate rocks
  14. The effect of zoned garnet on metapelite pseudosection topology and calculated metamorphic P-T paths
  15. Low-pressure and low-temperature K-bearing kosmochloric diopside from the Osayama serpentinite mélange, SW Japan
  16. Dehydration of natural stilbite: An in situ FTIR study
  17. Structural changes accompanying the phase transformation between leadhillite and susannite: A structural study by means of in situ high-temperature single-crystal X-ray diffraction
  18. Optic properties of centimeter-sized crystals determined in air with the spindle stage using EXCALIBRW
  19. Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia: Description and crystal structure
  20. Mn-tourmaline from island of Elba (Italy): Crystal chemistry
  21. Letter: An infrared study of carbon-oxygen bonding in magnesite to 60 GPa
  22. Letter: Metals in quartz-hosted melt inclusions: Natural facts and experimental artifacts
  23. Letter: A high-pressure phase transition of calcite-III
  24. Letter: Experimental observation of an interface-controlled pseudomorphic replacement reaction in a natural crystalline pyrochlore
  25. Letter: A natural scandian garnet
https://doi.org/10.2138/am.2005.1693

Articles in the same Issue

  1. Presidential Address To The Mineralogical Society Of Amrica, Boston, November 6, 2001: Some Precambrian Banded Iron-Formations (BiIFs) From Around The World: Their Age, Geologic Setting, Mineralogy, Metamorphism, Geochemistry, And Origin
  2. Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa
  3. Raman spectroscopy and vibrational analyses of albite: From 25 °C through the melting temperature
  4. A new occurrence of xitieshanite [Fe3+(SO4)Cl⋅6H2O] crystals in acid-mine seepways, Green Valley, Vigo County, Indiana, U.S.A.
  5. Effect of A-site cation radius on ordering of BX6 octahedra in (K,Na)MgF3 perovskite
  6. Crystal chemistry of NaMgF3 perovskite at high pressure and temperature
  7. Hyperfine electric field gradient tensors at Fe2+ sites in octahedral layers: Toward understanding oriented single-crystal Mössbauer spectroscopy measurements of micas
  8. Does the bazhenovite structure really contain a thiosulfate group? A structural and spectroscopic study of a sample from the type locality
  9. Light-induced degradation dynamics in realgar: in situ structural investigation using single-crystal X-ray diffraction study and X-ray photoelectron spectroscopy
  10. Absolute quantification by powder X-ray diffraction of complex mixtures of crystalline and amorphous phases for applications in the Earth sciences
  11. Detrital illite crystals identified from crystallite thickness measurements in siliciclastic sediments
  12. High-temperature density of lanthanide-bearing Na-silicate melts: Partial molar volumes for Ce2O3, Pr2O3, Nd2O3, Sm2O3, Eu2O3, Gd2O3, Tb2O3, Dy2O3, Ho2O3, Er2O3, Tm2O3, and Yb2O3
  13. Coupled dichotomies of apatite and fluid composition during contact metamorphism of siliceous carbonate rocks
  14. The effect of zoned garnet on metapelite pseudosection topology and calculated metamorphic P-T paths
  15. Low-pressure and low-temperature K-bearing kosmochloric diopside from the Osayama serpentinite mélange, SW Japan
  16. Dehydration of natural stilbite: An in situ FTIR study
  17. Structural changes accompanying the phase transformation between leadhillite and susannite: A structural study by means of in situ high-temperature single-crystal X-ray diffraction
  18. Optic properties of centimeter-sized crystals determined in air with the spindle stage using EXCALIBRW
  19. Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia: Description and crystal structure
  20. Mn-tourmaline from island of Elba (Italy): Crystal chemistry
  21. Letter: An infrared study of carbon-oxygen bonding in magnesite to 60 GPa
  22. Letter: Metals in quartz-hosted melt inclusions: Natural facts and experimental artifacts
  23. Letter: A high-pressure phase transition of calcite-III
  24. Letter: Experimental observation of an interface-controlled pseudomorphic replacement reaction in a natural crystalline pyrochlore
  25. Letter: A natural scandian garnet
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