Structural Description of Pressure-Induced Amorphization in ZrW{sub 2}O{sub 8}
- ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX (United Kingdom)
- Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ (United Kingdom)
- Department of Chemistry, University Science Laboratories, South Road, Durham DH1 3LE (United Kingdom)
- ESRF, BP220, F-38043 Grenoble Cedex (France)
ZrW{sub 2}O{sub 8} undergoes a high-pressure amorphization transition above 1.5 GPa to a phase which is recoverable to ambient conditions. Reverse Monte Carlo modeling of neutron and x-ray total scattering data from ZrW{sub 2}O{sub 8} recovered from {approx}4 GPa shows that the large increase in density on pressurizing ZrW{sub 2}O{sub 8} is accommodated within the structure by increased bonding between the WO{sub 4} tetrahedra. This increases the tungsten coordination; changes to the ZrO{sub 6} octahedral environment are not required. This densified crystal-based model, which contains significant local disorder within a distorted periodic structure, is also in reasonable agreement with x-ray and neutron total scattering data measured in situ at high pressure.
- OSTI ID:
- 20951452
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 22 Vol. 98; ISSN 0031-9007; ISSN PRLTAO
- Country of Publication:
- United States
- Language:
- English
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