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Rigid unit modes and intrinsic flexibility in linearly bridged framework structures

Abstract:

A method of calculating the number and nature of rigid unit modes (RUMs) in linearly bridged framework structures is presented. Using this approach, it is shown that linearly bridged framework structures inherently possess large degrees of structural flexibility, irrespective of their connectivity (i.e., framework topology). In particular, an O (V) density of RUMs across reciprocal space is an intrinsic property of these materials. This result has implications for their guest sorption, ion di...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevB.74.134302

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Journal:
PHYSICAL REVIEW B
Volume:
74
Issue:
13
Publication date:
2006-10-05
DOI:
EISSN:
1550-235X
ISSN:
1098-0121
URN:
uuid:0cef4bf2-97c6-4259-bb51-b4b3d807069d
Source identifiers:
50531
Local pid:
pubs:50531
Language:
English

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