Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] acfy_v1_0.gz(31 Kbytes)|
|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.|
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.
Calculations are based on standard X-ray powder diffraction methods.
Up to 100 sets of Miller indices/data sets can be processed.
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