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

doi:10.1103/PhysRevB.73.224110

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

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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 language	English
Article number	224110
Pages (from-to)	-
Number of pages	10
Journal	Physical review B
Volume	73
Issue number	22
DOIs	https://doi.org/10.1103/PhysRevB.73.224110
Publication status	Published - Jun 2006

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http://prb.aps.org/abstract/PRB/v73/i22/e224110

British Crystallographic Association Spring Meeting
Carole Morrison (Invited speaker)
2007
Activity: Participating in or organising an event types › Participation in conference

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title = "Nitric acid dihydrate at ambient and high pressure: An experimental and computational study",

abstract = "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.",

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

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British Crystallographic Association Spring Meeting

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