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  4. Incommensurately Modulated Structure of Gamma-Pamc - New Experimental Evidence For Amplitude and Phase Fluctuations
 
research article

Incommensurately Modulated Structure of Gamma-Pamc - New Experimental Evidence For Amplitude and Phase Fluctuations

Meyer, M.
•
Paciorek, W. A.
•
Schenk, K. J.  
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1994
Acta Crystallographica - Section B, Structural Science

The incommensurate structure of gamma-bis(n-propyl-ammonium) tetrachloromanganate(II) (gamma-PAMC) at 365 K has been determined in the superspace group Abma(alpha01)000. Main reflections and satellites up to second order have been included. Besides the harmonic model, anharmonic displacive and Debye-Waller factor modulations have been investigated. Anharmonicities of the displacive modulation functions are negligible. Global phason-correction terms significantly improve the agreement of the second-order satellites. Within the resolution of the experiment, the atomic amplitudon/phason correction converges to the expected theoretical values for the Mn and Cl atoms. The final agreement factors for a phason-corrected displacive harmonic modulation are R(all) = 0.052 (1056 reflections) [R(main) = 0.046 (369 reflections), R(1st order) = 0.057 (627 reflections), R(2nd order) = 0.137 (60 reflections)]. [References: 29]

  • Details
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Type
research article
DOI
10.1107/S0108768193011425
Author(s)
Meyer, M.
Paciorek, W. A.
Schenk, K. J.  
Chapuis, G.  
Depmeier, W.
Date Issued

1994

Published in
Acta Crystallographica - Section B, Structural Science
Volume

50

Issue

3

Start page

333

End page

343

Subjects

High-temperature phases

•

Debye-waller factors

•

X-ray

•

Crystal-structures

•

Refinement

•

Tetrachloromanganate(ii)

•

(ch3ch2ch2nh3)2mncl4

•

)nh3(c3h7)>2cucl4

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(c3h7nh3)2mncl4

•

Compound.

•

Physical chemistry/chemical physics.

Note

Jun 1

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCR  
Available on Infoscience
March 7, 2006
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/227292
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