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pubmed-article:21386563pubmed:dateCreated2011-3-9lld:pubmed
pubmed-article:21386563pubmed:abstractTextWe investigate the structures of H(3)Co(CN)(6) and D(3)Co(CN)(6) and their temperature dependence using a combination of advanced neutron and x-ray diffraction techniques. Lattice parameter refinements show marked temperature- and isotope-dependent effects in the thermal expansion behaviour. Reverse Monte Carlo modelling of neutron total scattering data characterizes the distribution of D atom positions in the deuterated compound; analysis of these distributions reveals that the two N-H/D bonds become increasingly different with increasing temperature, suggesting a mechanism for the observed thermal expansion anomalies. We discuss these results in the context of the previous crystallographic, spectroscopic and theoretical results for H(3)Co(CN)(6) and 'super-short' N···H···N systems in general.lld:pubmed
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pubmed-article:21386563pubmed:authorpubmed-author:PetersLarsLlld:pubmed
pubmed-article:21386563pubmed:authorpubmed-author:EvansJohn S...lld:pubmed
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pubmed-article:21386563pubmed:authorpubmed-author:KeenDavid ADAlld:pubmed
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pubmed-article:21386563pubmed:articleTitleThe hydrogen-bonding transition and isotope-dependent negative thermal expansion in H3Co(CN)6.lld:pubmed
pubmed-article:21386563pubmed:affiliationISIS Facility, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0QX, UK. david.keen@stfc.ac.uklld:pubmed
pubmed-article:21386563pubmed:publicationTypeJournal Articlelld:pubmed
pubmed-article:21386563pubmed:publicationTypeResearch Support, Non-U.S. Gov'tlld:pubmed