Rigid unit modes (RUMs) of distortion, local crystal chemistry and the inherent displacive flexibility of microporous AlPO4-11

Yun Liu; Ray L. Withers

doi:10.1016/S0022-4596(03)00024-0

Rigid unit modes (RUMs) of distortion, local crystal chemistry and the inherent displacive flexibility of microporous AlPO₄-11

Yun Liu, Ray L. Withers^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

Electron diffraction is used to investigate the average structure of microporous AlPO₄-11 as well as the zero-frequency rigid unit mode (RUM) modes of distortion of the ideal AlPO₄-11 tetrahedral framework. Direct experimental evidence (in the form of a highly structured, characteristic diffuse intensity distribution) has been found for the (presumably dynamic) excitation of numerous zero-frequency RUM modes of distortion. The lattice dynamic program CRUSH is used to confirm the existence of zero-frequency RUM modes of distortion with wave-vectors falling on the observed diffuse distribution. The simultaneous (presumably dynamic) excitation of such RUM modes of distortion needs to be taken into account in order for the local crystal chemistry of AlPO₄-11 to be understood.

Original language	English
Pages (from-to)	431-437
Number of pages	7
Journal	Journal of Solid State Chemistry
Volume	172
Issue number	2
DOIs	https://doi.org/10.1016/S0022-4596(03)00024-0
Publication status	Published - May 2003

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title = "Rigid unit modes (RUMs) of distortion, local crystal chemistry and the inherent displacive flexibility of microporous AlPO4-11",

abstract = "Electron diffraction is used to investigate the average structure of microporous AlPO4-11 as well as the zero-frequency rigid unit mode (RUM) modes of distortion of the ideal AlPO4-11 tetrahedral framework. Direct experimental evidence (in the form of a highly structured, characteristic diffuse intensity distribution) has been found for the (presumably dynamic) excitation of numerous zero-frequency RUM modes of distortion. The lattice dynamic program CRUSH is used to confirm the existence of zero-frequency RUM modes of distortion with wave-vectors falling on the observed diffuse distribution. The simultaneous (presumably dynamic) excitation of such RUM modes of distortion needs to be taken into account in order for the local crystal chemistry of AlPO4-11 to be understood.",

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T1 - Rigid unit modes (RUMs) of distortion, local crystal chemistry and the inherent displacive flexibility of microporous AlPO4-11

AU - Liu, Yun

AU - Withers, Ray L.

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Y1 - 2003/5

N2 - Electron diffraction is used to investigate the average structure of microporous AlPO4-11 as well as the zero-frequency rigid unit mode (RUM) modes of distortion of the ideal AlPO4-11 tetrahedral framework. Direct experimental evidence (in the form of a highly structured, characteristic diffuse intensity distribution) has been found for the (presumably dynamic) excitation of numerous zero-frequency RUM modes of distortion. The lattice dynamic program CRUSH is used to confirm the existence of zero-frequency RUM modes of distortion with wave-vectors falling on the observed diffuse distribution. The simultaneous (presumably dynamic) excitation of such RUM modes of distortion needs to be taken into account in order for the local crystal chemistry of AlPO4-11 to be understood.

AB - Electron diffraction is used to investigate the average structure of microporous AlPO4-11 as well as the zero-frequency rigid unit mode (RUM) modes of distortion of the ideal AlPO4-11 tetrahedral framework. Direct experimental evidence (in the form of a highly structured, characteristic diffuse intensity distribution) has been found for the (presumably dynamic) excitation of numerous zero-frequency RUM modes of distortion. The lattice dynamic program CRUSH is used to confirm the existence of zero-frequency RUM modes of distortion with wave-vectors falling on the observed diffuse distribution. The simultaneous (presumably dynamic) excitation of such RUM modes of distortion needs to be taken into account in order for the local crystal chemistry of AlPO4-11 to be understood.

KW - Characteristic diffuse distribution

KW - Correlated tetrahedral rotation

KW - Dynamical disorder

KW - Microporous AlPO-11

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DO - 10.1016/S0022-4596(03)00024-0

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EP - 437

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

IS - 2

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Rigid unit modes (RUMs) of distortion, local crystal chemistry and the inherent displacive flexibility of microporous AlPO₄-11

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