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Whole Pattern Fitting and Rietveld Refinement: Sr0.33Mnla0.67O2.91 (Xs (?) 876 (151), LC - 0.936)

The document summarizes the results of a whole pattern fitting and Rietveld refinement analysis of a strontium lanthanum manganese oxide compound. The analysis used X-ray diffraction data collected on a diffractometer from 20 to 90 degrees two-theta with Cu K-alpha radiation. The refinement fit the data to a rhombohedral space group model with unit cell parameters a=b=5.50225, c=13.36240, alpha=beta=gamma=90, 120 degrees. The refinement halted at iteration 26 with an R-value of 34.05% and goodness of fit of 15.87%.

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271 views1 page

Whole Pattern Fitting and Rietveld Refinement: Sr0.33Mnla0.67O2.91 (Xs (?) 876 (151), LC - 0.936)

The document summarizes the results of a whole pattern fitting and Rietveld refinement analysis of a strontium lanthanum manganese oxide compound. The analysis used X-ray diffraction data collected on a diffractometer from 20 to 90 degrees two-theta with Cu K-alpha radiation. The refinement fit the data to a rhombohedral space group model with unit cell parameters a=b=5.50225, c=13.36240, alpha=beta=gamma=90, 120 degrees. The refinement halted at iteration 26 with an R-value of 34.05% and goodness of fit of 15.87%.

Uploaded by

baokeli
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Whole Pattern Fitting and Rietveld Refinement

FILE: [PO1-B-54.txt] @Phi=180.0


SCAN: 20.0044/89.987/0.01671/1(sec), Cu, I(max)=1624, 10/15/12 23:39
PROC: [WPF Control File]
K-alpha2 Peak Present
LS Weighting in 1 / Sqr(I)
Allow Negative Isotropic B
Allow Negative Occupancy
Apply Anomalous Scattering

[Diffractometer LP] Two-Theta Range of Fit = 20.0 - 90.0(deg)


Specimen Displacement - Cos(Theta) = -0.09381(0.003862)
Monochromator Correction for LP Factor = 1.0

Profile Shape Function for All Phases: Pearson-VII, Polynomial(2), Lambda=1.54056? (Cu/K-alpha1)
1 Phase(s)
Space Group
Strontium Lanthanum Manganese O... R-3c (167)

a
5.50225

b
5.50225

c
13.36240

Alpha
90.000

Beta
90.000

NOTE: Fitting Halted at Iteration 26, Round 4: R=34.05% (E=15.87%, P=14, EPS=0.5)
R=67.2%

FWHM <Si-2.txt (12/05/13)>


Sr0.33MnLa0.67O2.91 [XS(?)=876 (151), LC=-0.936]

3=36.6%
4=35.7%

R=34.04%

E=15.87%

Refinement Iterations

30

40

Two-Theta

50

60

Two-Theta (deg)

70

80

Gamma
120.000

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