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Least-squares refinement of centrosymmetric trial structures in non-centrosymmetric space groups. A warning

Least-squares refinement of centrosymmetric trial structures in non-centrosymmetric space groups.... It is impossible to distinguish by means of a least-squares analysis between centrosymmetric structure and a corresponding non-centrosymmetric one by simple expansion of the set of parameters over the questionable inversion centre. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography International Union of Crystallography

Least-squares refinement of centrosymmetric trial structures in non-centrosymmetric space groups. A warning

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Least-squares refinement of centrosymmetric trial structures in non-centrosymmetric space groups. A warning

Ermer, O; Dunitz, J.D
Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography , Volume 26 (1): 163 – Jan 1, 1970

Abstract

It is impossible to distinguish by means of a least-squares analysis between centrosymmetric structure and a corresponding non-centrosymmetric one by simple expansion of the set of parameters over the questionable inversion centre.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1970 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S056773947000030X
Publisher site
See Article on Publisher Site

Abstract

It is impossible to distinguish by means of a least-squares analysis between centrosymmetric structure and a corresponding non-centrosymmetric one by simple expansion of the set of parameters over the questionable inversion centre.

Journal

Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography – International Union of Crystallography

Published: Jan 1, 1970

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