Nitric acid dihydrate at ambient and high pressure: An experimental and computational study

M Walker, C R Pulham, C A Morrison, D R Allan, W G Marshall

Research output: Contribution to journalArticlepeer-review


The high pressure structural behavior of nitric acid dihydrate ([H3O](+)center dot[NO3](-)center dot H2O) has been investigated up to 3.8 GPa using single crystal x-ray diffraction and neutron powder diffraction techniques. A new structural phase has been identified above 1.33 GPa and this has been further studied by ab initio quantum mechanical calculations. These have guided the refinement by neutron powder diffraction.

Original languageEnglish
Article number224110
Pages (from-to)-
Number of pages10
JournalPhysical review B: Condensed matter and materials physics
Issue number22
Publication statusPublished - Jun 2006

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