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Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)

  • Yang Ding EMAIL logo , David R. Veblen and Charles T. Prewitt
Published/Copyright: March 28, 2015
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American Mineralogist
From the journal American Mineralogist Volume 90 Issue 8-9

Abstract

Based on magnetic structure and TEM studies of bornite we propose a new 2α Fe/Cu ordered superstructure model with symmetry F4̅3m and formula Cu8Fe4S8. First principles calculations (LAPW implemented in WIEN97 code) of two Fe/Cu ordering schemes indicate that, at the ground state, the Fe atoms should fill the tetrahedral sites of sulfur atoms in the anti-fluorite cube, and the vacancies are associated with Cu atoms in the zincblende cube of the superstructure. The calculated magnetic moment of iron in the Fe/Cu-ordered structure is about 4 μβ, which was not expected from previous work because bornite has both covalent and metallic bonds that make crystal-field theory inappropriate for explaining the magnetic moment of Fe. High-resolution transmission electron microscopy (HRTEM) image simulations for the newly proposed structure model are much closer to experimental HRTEM images than those for the model proposed by Kanazawa et al. (1978)

Received: 2003-10-14
Accepted: 2005-2-11
Published Online: 2015-3-28
Published in Print: 2005-8-1

© 2015 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  1. Crystal-size and shape distributions of magnetite from uncultured magnetotactic bacteria as a potential biomarker
  2. Tourmaline-bearing rocks in the Singhbhum shear zone, eastern India: Evidence of boron infiltration during regional metamorphism
  3. High-resolution transmission electron microscopy (HRTEM) study of the 4a and 6a superstructure of bornite Cu5FeS4
  4. Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
  5. TEM-specimen preparation of cell/mineral interfaces by Focused Ion Beam milling
  6. Direct observation of spinodal decomposition in the magnetite-hercynite system by susceptibility measurements and transmission electron microscopy
  7. Thermodynamics of uranyl minerals: Enthalpies of formation of rutherfordine, UO2CO3, andersonite, Na2CaUO2(CO3)3(H2O)5, and grimselite, K3NaUO2(CO3)3H2O
  8. Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study
  9. Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
  10. Dehydration processes in the meta-autunite group minerals meta-autunite, metasaléeite, and metatorbernite
  11. Investigation of the martensitic-like transformation from Mg2GeO4 olivine to its spinel structure polymorph
  12. A high-temperature diffraction study of the solid solution CaTiOSiO4-CaTiOGeO4
  13. The vibrational spectrum of synthetic hydrogrossular (katoite) Ca3Al2(O4H4)3: A low-temperature IR and Raman spectroscopic study
  14. Structural characterization of biogenic Mn oxides produced in seawater by the marine bacillus sp. strain SG-1
  15. Investigation of smectite hydration properties by modeling experimental X-ray diffraction patterns: Part I. Montmorillonite hydration properties
  16. Synthesis and crystal-chemistry of alkali amphiboles in the system Na2O-MgO-FeO-Fe2O3- SiO2-H2O as a function of fO2
  17. Compositional zoning in sphalerite crystals
  18. Structure and the extent of disorder in quaternary (Ca-Mg and Ca-Na) aluminosilicate glasses and melts
  19. Makarochkinite, Ca2Fe42+Fe3+TiSi4BeAlO20, a new beryllosilicate member of the aenigmatite-sapphirine-surinamite group from the Ilʼmen Mountains (southern Urals), Russia
  20. Formation of lava stalactites in the master tube of the 1792-1793 flow field, Mt. Etna (Italy)
  21. Crystal-size distributions of garnets in metapelites from the northeastern Bushveld contact aureole, South Africa
  22. Early diagenetic origin of Al phosphate-sulfate minerals (woodhouseite and crandallite series) in terrestrial sandstones, Nova Scotia, Canada
  23. Scandium silicates from the Baveno and Cuasso al Monte NYF-granites, Southern Alps (Italy): Mineralogy and genetic inferences
  24. Letter. The effect of Fictive temperature on Al coordination in high-pressure (10 GPa) sodium aluminosilicate glasses
  25. Letter. α-PbO2-type nanophase of TiO2 from coesite-bearing eclogite in the Dabie Mountains, China
  26. Letter. Morphological characteristics of ordered kaolinite: Investigation using electron back-scattered diffraction
https://doi.org/10.2138/am.2005.1518

Articles in the same Issue

  1. Crystal-size and shape distributions of magnetite from uncultured magnetotactic bacteria as a potential biomarker
  2. Tourmaline-bearing rocks in the Singhbhum shear zone, eastern India: Evidence of boron infiltration during regional metamorphism
  3. High-resolution transmission electron microscopy (HRTEM) study of the 4a and 6a superstructure of bornite Cu5FeS4
  4. Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
  5. TEM-specimen preparation of cell/mineral interfaces by Focused Ion Beam milling
  6. Direct observation of spinodal decomposition in the magnetite-hercynite system by susceptibility measurements and transmission electron microscopy
  7. Thermodynamics of uranyl minerals: Enthalpies of formation of rutherfordine, UO2CO3, andersonite, Na2CaUO2(CO3)3(H2O)5, and grimselite, K3NaUO2(CO3)3H2O
  8. Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study
  9. Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
  10. Dehydration processes in the meta-autunite group minerals meta-autunite, metasaléeite, and metatorbernite
  11. Investigation of the martensitic-like transformation from Mg2GeO4 olivine to its spinel structure polymorph
  12. A high-temperature diffraction study of the solid solution CaTiOSiO4-CaTiOGeO4
  13. The vibrational spectrum of synthetic hydrogrossular (katoite) Ca3Al2(O4H4)3: A low-temperature IR and Raman spectroscopic study
  14. Structural characterization of biogenic Mn oxides produced in seawater by the marine bacillus sp. strain SG-1
  15. Investigation of smectite hydration properties by modeling experimental X-ray diffraction patterns: Part I. Montmorillonite hydration properties
  16. Synthesis and crystal-chemistry of alkali amphiboles in the system Na2O-MgO-FeO-Fe2O3- SiO2-H2O as a function of fO2
  17. Compositional zoning in sphalerite crystals
  18. Structure and the extent of disorder in quaternary (Ca-Mg and Ca-Na) aluminosilicate glasses and melts
  19. Makarochkinite, Ca2Fe42+Fe3+TiSi4BeAlO20, a new beryllosilicate member of the aenigmatite-sapphirine-surinamite group from the Ilʼmen Mountains (southern Urals), Russia
  20. Formation of lava stalactites in the master tube of the 1792-1793 flow field, Mt. Etna (Italy)
  21. Crystal-size distributions of garnets in metapelites from the northeastern Bushveld contact aureole, South Africa
  22. Early diagenetic origin of Al phosphate-sulfate minerals (woodhouseite and crandallite series) in terrestrial sandstones, Nova Scotia, Canada
  23. Scandium silicates from the Baveno and Cuasso al Monte NYF-granites, Southern Alps (Italy): Mineralogy and genetic inferences
  24. Letter. The effect of Fictive temperature on Al coordination in high-pressure (10 GPa) sodium aluminosilicate glasses
  25. Letter. α-PbO2-type nanophase of TiO2 from coesite-bearing eclogite in the Dabie Mountains, China
  26. Letter. Morphological characteristics of ordered kaolinite: Investigation using electron back-scattered diffraction
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