Hyperfine Interactions

, Volume 93, Issue 1, pp 1511–1514 | Cite as

High-pressure in situ investigation of cubanite (CuFe2S3): Electronic structure

  • Catherine A. McCammon
Phase Transitions, Relaxsation, and Valence Fluctuations


An in situ study of cubanite (CuFe2S3) was performed using energy dispersive X-ray diffraction and Mössbauer spectroscopy in a diamond anvil cell at room temperature and pressures up to 5 GPa. Mössbauer spectra of orthorhombic cubanite show a single iron site with a hyperfine magnetic field that is relatively insentive to pressure, and a centre shift which decreases with pressure at a rate consistent with no significant changes in bonding. Above 3 GPa, however, a nonmagnetic component appears that can be fitted to a single asymmetric quadrupole doublet with a centre shift corresponding to valence between Fe2+ and Fe3+. This is consistent with X-ray diffraction data that show an accompanying transition from the orthorhombic structure to the NiAs structure, where localised electron transfer could occur across pairs of face-shared octahedra or extended electron delocalisation could occur along sheets of face- and edge-shared octahedra.


Orthorhombic Structure Electron Delocalisation Hyperfine Magnetic Field Diamond Anvil Cell Quadrupole Doublet 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. [1]
    C.A. McCammon, J. Zhang, R.M. Hazen and L.W. Finger, Am. Mineral. 77(1992)937.Google Scholar
  2. [2]
    L. Merrill and W.A. Bassett, Rev. Sci. Instr. 45(1974)290.Google Scholar
  3. [3]
    L.J. Cabri, S.R. Hall, J.T. Syzmanski and J.M. Stewart, Can. Mineral. 12(1973)33.Google Scholar
  4. [4]
    C.A. McCammon, in:Recent Trends in High Pressure Research, ed. A.K. Singh (Oxford & IBH, New Delhi, 1992) p. 824.Google Scholar
  5. [5]
    C.A. McCammon, in:High Pressure Science and Technology, ed. S.C. Schmidt (American Institute of Physics, New York) in press.Google Scholar
  6. [6]
    P. Imbert and M. Wintenberger, Bull Soc. Fr. Minéral. Cristallogr. 90(1967)299.Google Scholar
  7. [7]
    S.V. Karyagin, Sov. Phys. Solid State 8(1966)391.Google Scholar
  8. [8]
    D.L. Williamson, in:Mössbauer Isomer Shifts, eds. G.K. Shenoy and F.E. Wagner (North-Holland, Amsterdam, 1978) p.317.Google Scholar
  9. [9]
    H.G. Drickamer, R.W. Vaughn and A.R. Champion, Accounts Chem. Res. 2(1969)40.Google Scholar
  10. [10]
    H.E. King, Jr. and C.T. Prewitt, Acta Cryst. B38(1982)1877.Google Scholar
  11. [11]
    H. King, D. Virgo and H.K. Mao, Ann. Rept. Geophys. Lab. 77(1978)830.Google Scholar

Copyright information

© J.C. Baltzer AG, Science Publishers 1994

Authors and Affiliations

  • Catherine A. McCammon
    • 1
  1. 1.Bayerisches GeoinstitutUniversität BayreuthBayreuthGermany

Personalised recommendations