Refinement of simple crystal structures from synchrotron radiation powder diffraction data | Zendy

Will G. | Zendy; Masciocchi N. | Zendy; Parrish W. | Zendy; Hart M. | Zendy

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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%.

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