Home Physical Sciences Relationships among channel topology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
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Relationships among channel topology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)

  • Hiroki Okudera EMAIL logo
Published/Copyright: March 7, 2015
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American Mineralogist
From the journal American Mineralogist Volume 98 Issue 8-9

Abstract

Rare-earth silicate oxy-apatites have been found to exhibit high ion-conductivity along channels within their structure, which makes them candidate materials for solid oxide fuel cell electrolytes. It is not understood so far why this high ion-conductivity is restricted to oxide-ion transport and does not occur for halide ions common in apatite type minerals. This study reports on the relationship between the topology of these structural channels and the spatial displacement of the chloride ion in three different structures of natural apatite group minerals [Pb5(BO4)3Cl (Z = 2) with B = P (pyromorphite), V (vanadinite), and As (mimetite)] using single-crystal X‑ray diffraction. All of these minerals crystallize in the hexagonal chlorapatite structure with space group P63/m with no symmetry lowering or site splitting. The anion channel is built from a face-sharing array of nearly regular Pb26 octahedra running parallel to the c-axis, and the chloride ions were found at the center of each octahedron with bond-valence sums of 1.10 for mimetite and vanadinite and 1.25 for pyromorphite. The mean square displacement (msd) of the chloride ion in [001] was found to be a function of the size of Pb26 octahedron in that direction. This position is also the center of a flat O36 trigonal antiprism. The msds of the chloride ion in the x-y plane were found to be correlated to the size of the antiprism in this plane, namely the distance between the chloride ion and its nearest oxide ions, and the amount of roto-oscillation motion of the BO4 tetrahedra around the B-O1 axis. While the chloride ion in the channel was bonded to six Pb cations, the repulsion from six neighboring oxygen ions is also apparent and this repulsion restricts the motion of the chloride ion within the x-y plane.

Keywords : Pyromorphite; mimetite; vanadinite; single-crystal X‑ray diffraction; anion channel; apatite structure
Received: 2012-11-26
Accepted: 2013-4-1
Published Online: 2015-3-7
Published in Print: 2013-8-1

© 2015 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  1. Editorial. Why you should publish your best papers in American Mineralogist: An International Journal of Earth and Planetary Materials
  2. Highlights and Breakthroughs. New constraints on the size of chondrite parent bodies
  3. Actinides in Geology, Energy, and the Environment. Further investigation of the initial fission-track length and geometry factor in apatite fission-track thermochronology
  4. Versatile monazite: Resolving geological records and solving challenges in materials science. Carboniferous inherited grain and age zoning of monazite and xenotime from leucogranites in far-eastern Nepal: Constraints from electron probe microanalysis
  5. Versatile monazite: Resolving geological records and solving challenges in materials science. Diffusion of helium in natural monazite, and preliminary results on He diffusion in synthetic light rare earth phosphates
  6. Crystal structure of the high-pressure phase of calcium hydroxide, portlandite: In situ powder and single-crystal X-ray diffraction study
  7. Experimental development of patch perthite from synthetic cryptoperthite: Microstructural evolution and chemical re-equilibration
  8. Oxy-dravite, Na(Al2Mg)(Al5Mg)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
  9. Behavior of gold in a magma at sulfide-sulfate transition: Revisited
  10. A disordered nanoparticle model for 6-line ferrihydrite
  11. NanoSIMS Pb/Pb dating of tranquillityite in high-Ti lunar basalts: Implications for the chronology of high-Ti volcanism on the Moon
  12. Iron sulfide stoichiometry as a monitor of sulfur fugacity in gas-mixing experiments
  13. Relaxation effects and re-entrant spin glass behavior at low temperatures in natural strunzite, ferristrunzite, and ferrostrunzite
  14. Enthalpies of formation of Fe-Ni monosulfide solid solutions
  15. Influence of temperature and Cl on the hydrothermal replacement of calcite by apatite and the development of porous microstructures
  16. Ordering state in orthopyroxene as determined by precession electron diffraction
  17. Interlayer water molecules in organocation-exchanged vermiculite and montmorillonite: A case study of tetramethylammonium
  18. Spectroscopic and X-ray diffraction investigation of the behavior of hanksite and tychite at high pressures, and a model for the compressibility of sulfate minerals
  19. Low-temperature magnetism of alabandite: Crucial role of surface oxidation
  20. Crystallographic and spectroscopic characterization of Fe-bearing chromo-aluminopovondraite and its relations with oxy-chromium-dravite and oxy-dravite
  21. Experimental determination of siderite stability at high pressure
  22. Relationships among channel topology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
  23. The crystal structure of johnbaumite, Ca5(AsO4)3OH, the arsenate analogue of hydroxylapatite
  24. A comparison of the Ca3(PO4)2 and CaSiO3 systems, with a new structure refinement of tuite synthesized at 15 GPa and 1300 °C
  25. The system K2CO3-MgCO3 at 6 GPa and 900–1450 °C
  26. Influence of H2 fluid on the stability and dissolution of Mg2SiO4 forsterite under high pressure and high temperature
  27. Crystal chemistry of Cu-bearing tourmalines
  28. Lead-tellurium oxysalts from Otto Mountain near Baker, California: XI. Eckhardite, (Ca,Pb)Cu2+Te6+O5(H2O), a new mineral with HCP stair-step layers
  29. Neutron diffraction in gemology: Single-crystal diffraction study of brazilianite, NaAl3(PO4)2(OH)4
https://doi.org/10.2138/am.2013.4417
Keywords for this article
Pyromorphite; mimetite; vanadinite; single-crystal X‑ray diffraction; anion channel; apatite structure

Articles in the same Issue

  1. Editorial. Why you should publish your best papers in American Mineralogist: An International Journal of Earth and Planetary Materials
  2. Highlights and Breakthroughs. New constraints on the size of chondrite parent bodies
  3. Actinides in Geology, Energy, and the Environment. Further investigation of the initial fission-track length and geometry factor in apatite fission-track thermochronology
  4. Versatile monazite: Resolving geological records and solving challenges in materials science. Carboniferous inherited grain and age zoning of monazite and xenotime from leucogranites in far-eastern Nepal: Constraints from electron probe microanalysis
  5. Versatile monazite: Resolving geological records and solving challenges in materials science. Diffusion of helium in natural monazite, and preliminary results on He diffusion in synthetic light rare earth phosphates
  6. Crystal structure of the high-pressure phase of calcium hydroxide, portlandite: In situ powder and single-crystal X-ray diffraction study
  7. Experimental development of patch perthite from synthetic cryptoperthite: Microstructural evolution and chemical re-equilibration
  8. Oxy-dravite, Na(Al2Mg)(Al5Mg)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
  9. Behavior of gold in a magma at sulfide-sulfate transition: Revisited
  10. A disordered nanoparticle model for 6-line ferrihydrite
  11. NanoSIMS Pb/Pb dating of tranquillityite in high-Ti lunar basalts: Implications for the chronology of high-Ti volcanism on the Moon
  12. Iron sulfide stoichiometry as a monitor of sulfur fugacity in gas-mixing experiments
  13. Relaxation effects and re-entrant spin glass behavior at low temperatures in natural strunzite, ferristrunzite, and ferrostrunzite
  14. Enthalpies of formation of Fe-Ni monosulfide solid solutions
  15. Influence of temperature and Cl on the hydrothermal replacement of calcite by apatite and the development of porous microstructures
  16. Ordering state in orthopyroxene as determined by precession electron diffraction
  17. Interlayer water molecules in organocation-exchanged vermiculite and montmorillonite: A case study of tetramethylammonium
  18. Spectroscopic and X-ray diffraction investigation of the behavior of hanksite and tychite at high pressures, and a model for the compressibility of sulfate minerals
  19. Low-temperature magnetism of alabandite: Crucial role of surface oxidation
  20. Crystallographic and spectroscopic characterization of Fe-bearing chromo-aluminopovondraite and its relations with oxy-chromium-dravite and oxy-dravite
  21. Experimental determination of siderite stability at high pressure
  22. Relationships among channel topology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
  23. The crystal structure of johnbaumite, Ca5(AsO4)3OH, the arsenate analogue of hydroxylapatite
  24. A comparison of the Ca3(PO4)2 and CaSiO3 systems, with a new structure refinement of tuite synthesized at 15 GPa and 1300 °C
  25. The system K2CO3-MgCO3 at 6 GPa and 900–1450 °C
  26. Influence of H2 fluid on the stability and dissolution of Mg2SiO4 forsterite under high pressure and high temperature
  27. Crystal chemistry of Cu-bearing tourmalines
  28. Lead-tellurium oxysalts from Otto Mountain near Baker, California: XI. Eckhardite, (Ca,Pb)Cu2+Te6+O5(H2O), a new mineral with HCP stair-step layers
  29. Neutron diffraction in gemology: Single-crystal diffraction study of brazilianite, NaAl3(PO4)2(OH)4
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