scholarly journals DETERMINATION OF X-RAY POWDER DIFFRACTION DATA FOR SODIUM STRONTIUM BARIUM NIOBATE SYSTEM

1980 ◽  
Vol 29 (2) ◽  
pp. 247
Author(s):  
GUO CHANG-LIN
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Strontium Barium Niobate ◽  
Strontium Barium ◽  
X Ray

scholarly journals Pressing the Limits of Rietveld Refinement

1988 ◽  
Vol 41 (2) ◽  
pp. 297 ◽  
Author(s):  
RA Young
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Site Occupancy ◽  
The Other ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Neutron Powder Diffraction Data ◽  
Refinement Method

Two examples are given, one with X-ray data and one with netltron data, of the determination of structural detail which appear to be at the edge of current possibility for the Rietveld structure-refinement method. In the first example, 2�2 wt% Sb substituted in CalO(P04)6F2 was located. X-ray powder diffraction data collected with special attention to intensity precision and scale constancy were used. The problem was solved through comparison of intra-sample site-occupancy ratios between Sb-doped and undoped samples. In the second example, high quality, high resolution neutron powder diffraction data were required. The problem was to distinguish between two subtly different models of kaolinite for which the R-weighted-pattern values differed only by 2 or 3 units in the third digit and, particularly, to understand the basis for the consistent programmatic choice of one of the models (PI) over the other. The answer was found in the calculated and 'observed' intensities for (h+ k)-odd reflections; although they were very small, less than 1% of the intensities of the main reflections, many of them were distinctly nonzero. Even though these reflections were not separately observable, because of overlap and small size, they nonetheless correlated with one model sufficiently better than the other to produce the consistent choice.

Ab initio structure determination of In2H2(P2O7)(P4O12) from X-ray powder diffraction data

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
L. S. Ivashkevich ◽  
A. S. Lyakhov ◽  
A. F. Selevich ◽  
A. I. Lesnikovich
Keyword(s):  
Crystal Structure ◽  
Ab Initio ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Ab Initio Structure

AbstractThe crystal structure of In

scholarly journals Structure determination of flufenamic acid cocrystals from laboratory X-ray powder diffraction data

2010 ◽  
Vol 66 (a1) ◽  
pp. s321-s321
Author(s):  
Hisashi Konaka ◽  
Yukiko Namatame ◽  
Akito Sasaki ◽  
Takamitsu Ueto ◽  
Noriyuki Takata
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Flufenamic Acid ◽  
Powder Diffraction Data ◽  
X Ray
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