@fairybasslet

Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions

, , , , and . Acta Crystallographica Section B 70 (2): 347--359 (April 2014)

Abstract

A method was developed and implemented for fitting a crystal structure to a powder pattern, even if the lattice parameters deviate strongly. The method is even successful for powder diagrams of very low quality. Applications include an automatic fit starting from predicted structures or isostructural compounds.

Links and resources

DOI:
10.1107/s2052520613033994
URL:
BibTeX key:
Habermehl2014
search on:

Comments and Reviews  
(1)

@fairybasslet has written a comment or review.  Join the discussion!

Tags


Cite this publication