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Manuscript Title: A program for the derivation of crystal unit cell parameters from X- ray powder diffraction measurements.
Authors: I.F. Ferguson, A.H. Rogerson
Program title: FIRESTAR
Catalogue identifier: ACFY_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 32(1984)95
Programming language: Fortran.
Computer: VAX 11/780.
Operating system: VERSION 3.
RAM: 38K words
Word size: 8
Keywords: Crystallography, X-ray, Powder diffraction, Crystal structure, Unit cell, Bragg reflections, Lattice parameters.
Classification: 8.

Nature of problem:
The program, FIRESTAR, determines the dimensions of a crystallographic unit cell from a set of X-ray powder diffraction measurements corresponding to a set of Bragg reflections, provided that the crystal system applicaBle is known and the bragg reflections have been indexed. The program includes a range of possible extrapolation functions, and the data may be weighted. Provision is made for detecting and rejecting a single 'bad' measurement, and then rejecting measurements which lie outside an error limit set in the input data.

Solution method:
Calculations are based on standard X-ray powder diffraction methods.

Restrictions:
Up to 100 sets of Miller indices/data sets can be processed.

Running time:
Seconds.