Structural description of pressure-induced amorphization in ZrW2O8.

Journal article

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 approximately 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.

Authors: Keen, D; Goodwin, A; Tucker, MG; Dove, M; Evans, J

• Publication status: Published
• Journal: Physical Review Letters
• Volume: 98
• Issue: 22
• Pages: 225501
• Publication date: 2007-06-01
• DOI: 10.1103/physrevlett.98.225501
• EISSN: 1079-7114
• ISSN: 0031-9007
• Language: English