ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
The thermal parameters of Zn have been refined by the use of Bragg reflexions measured with Mo Kα and Cu Kα radiation for one temperature only. Several models of the anisotropic extinction correction have been examined. It is shown that the use of the extinction correction strongly influences the values of the thermal parameters. These parameters are however only slightly affected by the choice of extinction correction model. The programs LINEX74 and ORXFLS3 were used for refinement, the latter in a version modified by the author. The best fit was obtained by using the LINEX74 type I model with a Lorentzian distribution of the mosaic spread and the Thornley-Nelmes model for the ellipsoid of the anisotropic mosaic spread. The result for the root-mean-square displacement was ua = 0.098 ± 0.001 Å (Mo Kα radiation), ua = 0.102 ± 0.006 Å (Cu Kα radiation) in the a direction of the lattice and uc = 0.161 ± 0.004 Å (for both radiations) in the c direction. These results are in good agreement with those of Skelton & Katz [Phys. Rev. (1968), 171, 801-808-], measured in a temperature range from 4.85 to 600 K.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S056773947700151X
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