Letter to the Editor
An algorithm for calculating the Bragg angles and interplanar spacings for diffraction maxima compatible with the space group requirements
S. Popović
; "Ruđer Bošković" Institute, 41001 Zagreb, POB 1016, Yugoslavia
B. Kojić-Prodić
; "Ruđer Bošković" Institute, 41001 Zagreb, POB 1016, Yugoslavia
Abstract
A program, DTHETA, is written in FORTRAN 5 for UNIVAC 1100, which calculates the Bragg angles, 0, and the interplanar spacings, d, for diffraction maxima compatible with the space group requirements. The output results (a table containing the Miller indices hkl, d, d-2, 0, sin0, sin20, together with the crystal and reciprocal unit cell parameters) are printed out in order of increasing 0 values. For a group of two or more mutually equal Bragg angles, corresponding to various combinations of Miller indices, which are symmetrically equivalent, only one combination of the indices is printed out. The listing of the program is available from the authors.
Keywords
Hrčak ID:
327693
URI
Publication date:
1.12.1980.
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