The atomic anisotropic displacement tensor – completing the picture

Gunnar Thorkildsen; Helge B Larsen

doi:10.1107/S2053273315008372

The atomic anisotropic displacement tensor – completing the picture

Acta Crystallogr A Found Adv. 2015 Jul;71(Pt 4):467-70. doi: 10.1107/S2053273315008372. Epub 2015 May 29.

Authors

Gunnar Thorkildsen¹, Helge B Larsen¹

Affiliation

¹ Department of Mathematics and Natural Science, University of Stavanger, N-4036 Stavanger, Norway.

PMID: 26131902
DOI: 10.1107/S2053273315008372

Abstract

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].

Keywords: anisotropic displacement tensor; equivalent isotropic displacement parameter; site-symmetry restrictions; transformations among tensor representations.