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Static disorder and local structure in zinc(II) isonicotinate, a quartzlike metal-organic framework

Abstract:

Using a combination of Rietveld and reverse Monte Carlo (RMC) refinement of neutron total scattering data, we find that the 10 K structure of zinc(II) isonicotinate shows strong evidence of static disorder. This disorder takes the form of transverse displacements of the isonicotinate ligand and results in elongated atomic displacement parameters and dampening of the experimental G(r). We analyse the RMC configurations using an approach derived from geometric algebra. Complications regarding t...

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Publication status:
Published

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Publisher copy:
10.1524/zkri.2012.1509
Journal:
ZEITSCHRIFT FUR KRISTALLOGRAPHIE More from this journal
Volume:
227
Issue:
5
Pages:
313-320
Publication date:
2012-01-01
DOI:
ISSN:
0044-2968
Language:
English
Keywords:
Pubs id:
pubs:342039
UUID:
uuid:f8dfb8dd-4f70-428c-aa13-5283d194239e
Local pid:
pubs:342039
Source identifiers:
342039
Deposit date:
2012-12-19

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