Application of the ellipsoid modeling of the average shape of nanosized crystallites in powder diffraction

Anna Katerinopoulou; Tonci Balic Zunic; Lars Fahl Lundegaard

doi:10.1107/S0021889811055075

Application of the ellipsoid modeling of the average shape of nanosized crystallites in powder diffraction

Anna Katerinopoulou, Tonci Balic Zunic, Lars Fahl Lundegaard

18 Citationer (Scopus)

Abstract

Anisotropic broadening correction in X-ray powder diffraction by an ellipsoidal formula is applied on samples with nanosized crystals. Two cases of minerals with largely anisotropic crystallite shapes are presented. The properly applied formalism not only improves the fitting of the theoretical and observed diffraction diagrams but also gives direct information about realistic crystallite shapes and sizes. The approach is demonstrated using the Rietveld refinement program TOPAS and it is easily adaptable to other similar software.

Originalsprog	Engelsk
Tidsskrift	Journal of Applied Crystallography
Vol/bind	45
Udgave nummer	1
Sider (fra-til)	22-27
Antal sider	6
ISSN	0021-8898
DOI	https://doi.org/10.1107/S0021889811055075
Status	Udgivet - feb. 2012

Adgang til dokumentet

10.1107/S0021889811055075

Citationsformater

@article{029189eff0a54662b0fb2f75a7a976e0,

title = "Application of the ellipsoid modeling of the average shape of nanosized crystallites in powder diffraction",

abstract = "Anisotropic broadening correction in X-ray powder diffraction by an ellipsoidal formula is applied on samples with nanosized crystals. Two cases of minerals with largely anisotropic crystallite shapes are presented. The properly applied formalism not only improves the fitting of the theoretical and observed diffraction diagrams but also gives direct information about realistic crystallite shapes and sizes. The approach is demonstrated using the Rietveld refinement program TOPAS and it is easily adaptable to other similar software.",

author = "Anna Katerinopoulou and {Balic Zunic}, Tonci and Lundegaard, {Lars Fahl}",

year = "2012",

month = feb,

doi = "10.1107/S0021889811055075",

language = "English",

volume = "45",

pages = "22--27",

journal = "Journal of Applied Crystallography",

issn = "0021-8898",

publisher = "Wiley-Blackwell",

number = "1",

}

TY - JOUR

T1 - Application of the ellipsoid modeling of the average shape of nanosized crystallites in powder diffraction

AU - Katerinopoulou, Anna

AU - Balic Zunic, Tonci

AU - Lundegaard, Lars Fahl

PY - 2012/2

Y1 - 2012/2

N2 - Anisotropic broadening correction in X-ray powder diffraction by an ellipsoidal formula is applied on samples with nanosized crystals. Two cases of minerals with largely anisotropic crystallite shapes are presented. The properly applied formalism not only improves the fitting of the theoretical and observed diffraction diagrams but also gives direct information about realistic crystallite shapes and sizes. The approach is demonstrated using the Rietveld refinement program TOPAS and it is easily adaptable to other similar software.

AB - Anisotropic broadening correction in X-ray powder diffraction by an ellipsoidal formula is applied on samples with nanosized crystals. Two cases of minerals with largely anisotropic crystallite shapes are presented. The properly applied formalism not only improves the fitting of the theoretical and observed diffraction diagrams but also gives direct information about realistic crystallite shapes and sizes. The approach is demonstrated using the Rietveld refinement program TOPAS and it is easily adaptable to other similar software.

U2 - 10.1107/S0021889811055075

DO - 10.1107/S0021889811055075

M3 - Journal article

SN - 0021-8898

VL - 45

SP - 22

EP - 27

JO - Journal of Applied Crystallography

JF - Journal of Applied Crystallography

IS - 1

ER -