Structural description of pressure-Induced amorphization in ZrW2O8.

Keen, D. A. and Goodwin, A. L. and Tucker, M. G. and Dove, M. T. and Evans, J. S. O. and Crichton, W. A. and Brunelli, M. (2007) Structural description of pressure-Induced amorphization in ZrW2O8. Physical Review Letters, 98. p. 225501. DOI https://doi.org/10.1103/PhysRevLett.98.225501

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Abstract

ZrW2O8 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 ZrW2O8 recovered from ~4 GPa shows that the large increase in density on pressurizing ZrW2O8 is accommodated within the structure by increased bonding between the WO4 tetrahedra. This increases the tungsten coordination; changes to the ZrO6 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.

Item Type:	Article
Uncontrolled Keywords:	2007 AREP 2007 P IA54
Divisions:	03 - Mineral Sciences
Journal or Publication Title:	Physical Review Letters
Volume:	98
Page Range:	p. 225501
Identification Number:	https://doi.org/10.1103/PhysRevLett.98.225501
Depositing User:	Sarah Humbert
Date Deposited:	16 Feb 2009 13:02
Last Modified:	23 Jul 2013 10:07
URI:	http://eprints.esc.cam.ac.uk/id/eprint/448

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