International
Tables for
Crystallography
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 3.7, p. 311

Figure 3.7.4 

J. A. Kaduka,b,c*

aDepartment of Chemistry, Illinois Institute of Technology, 3101 South Dearborn Street, Chicago, IL 60616, USA,bDepartment of Physics, North Central College, 131 South Loomis Street, Naperville, IL 60540, USA, and cPoly Crystallography Inc., 423 East Chicago Avenue, Naperville, IL 60540, USA
Correspondence e-mail: kaduk@polycrystallography.com

[Figure 3.7.4]
Figure 3.7.4

The results of applying a commercial search/match program (Jade 9.5; Materials Data, 2012[link]) to the (background-subtracted, Kα2-stripped) powder pattern of a butane-oxidation catalyst. The first three patterns in the hit list had equivalent figures of merit. The PDF entries 00-050-0380 and 04-009-2740 had Star quality marks and 04-009-2740 contained the atomic coordinates necessary for a Rietveld refinement. Additional peaks are apparent. The phases that give rise to them were identified using the native capabilities of the Powder Diffraction File.