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High-pressure transformations of NbO2F

Carlson1, Larsson, Rohrer

  • 1ESRF, Grenoble, France. carlson@esrf.fr

Acta Crystallographica. Section B, Structural Science
|May 4, 2000
PubMed
Summary

High pressure transforms niobium dioxyfluoride (NbO2F) from cubic to rhombohedral structure around 0.47 GPa. Further compression leads to an X-ray amorphous phase around 17-18 GPa.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Crystallography

Background:

  • Niobium dioxyfluoride (NbO2F) exhibits a ReO3-type structure at ambient conditions.
  • Understanding material behavior under extreme conditions is crucial for developing new technologies.

Purpose of the Study:

  • To investigate the structural evolution of NbO2F under high pressure.
  • To determine the phase transition pressures and structural changes in NbO2F.

Main Methods:

  • High-pressure powder diffraction using diamond anvil cells.
  • Synchrotron X-ray radiation for diffraction measurements.
  • Rietveld refinement for structural analysis.

Main Results:

  • A phase transition from cubic (Pm3m) to rhombohedral (R3c) structure occurred at 0.47 GPa.
  • The rhombohedral phase involves tilting of Nb(O/F)6 octahedra and anion arrangement approaching hexagonal close packing.
  • NbO2F becomes X-ray amorphous above 17-18 GPa.

Conclusions:

  • NbO2F undergoes significant structural transformations under high pressure.
  • The observed phase transitions are driven by octahedral tilting and anion packing rearrangements.
  • The amorphous phase indicates a loss of long-range order at extreme pressures.

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