The atomic anisotropic displacement tensor – completing the picture

A simplified approach for calculating the equivalent isotropic displacement parameter is presented and the transformation property of the tensor representation U to point‐group operations is analysed. Complete tables have been compiled for the restrictions imposed upon the tensor owing to the site s...

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Bibliographic Details
Published in:Acta crystallographica. Section A, Foundations and advances Foundations and advances, 2015-07, Vol.71 (4), p.467-470
Main Authors: Thorkildsen, Gunnar, Larsen, Helge B.
Format: Article
Language:English
Subjects:
anisotropic displacement tensor
Anisotropy
Crystallography
Displacement
Equivalence
equivalent isotropic displacement parameter
Mathematical analysis
Representations
site‐symmetry restrictions
Symmetry
Tables
Tensors
Transformations
transformations among tensor representations
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Summary:A simplified approach for calculating the equivalent isotropic displacement parameter is presented and the transformation property of the tensor representation U to point‐group operations is analysed. Complete tables have been compiled for the restrictions imposed upon the tensor owing to the site symmetry associated with all special positions as listed in Hahn [(2011), International Tables for Crystallography, Vol. A, Space‐group Symmetry, 5th revised ed. Chichester: John Wiley and Sons, Ltd].
ISSN:2053-2733
0108-7673
2053-2733
DOI:10.1107/S2053273315008372