Premium
Refinement of simple crystal structures from synchrotron radiation powder diffraction data
Author(s) -
Will G.,
Masciocchi N.,
Parrish W.,
Hart M.
Publication year - 1987
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889887086412
Subject(s) - synchrotron radiation , powder diffraction , materials science , diffraction , resolution (logic) , bragg's law , crystallography , range (aeronautics) , synchrotron , gaussian function , gaussian , x ray , crystal (programming language) , optics , chemistry , physics , computer science , programming language , computational chemistry , artificial intelligence , composite material
X‐ray powder diffractometry with storage‐ring radiation was used to test various aspects of a method for refining simple crystal structures (Si, CeO 2 and Co 3 O 4 ). Excellent powder patterns were obtained with 0.17° resolution parallel slits and 1 Å X‐rays. The intensities were determined with a double‐Gaussian profile‐fitting function and used in the powder least‐squares refinement program POWLS . Except for Si, the peaks were broadened because of small particle sizes. The R (Bragg) values were in the range 0.4–1.7%.