ISSN:
1600-5767
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Geosciences
,
Physics
Notes:
A straightforward method for the systematic peak-shift correction using the standard reference material is proposed for the least-squares determination of unit-cell parameters. It requires no pre-determined angle-calibration curve, and the peak-shift correction can be applied simultaneously during the least squares. The procedure, programmed with Fortran 77 statements, has been tested with powder diffractometer data of an α-SiO2 + Si mixture. Advantages of the procedure are: (i) all reflection data from both sample and standard reference material contribute to determining the angle-dependent calibration curve, and (ii) one reflection from the standard reference material suffices for the correction of systematic errors.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0021889890001996
