Intensity of diffracted intensities

Brown, P.; Fox, Alan; Maslen, E. N.; O’Keefe, Michael A.; Willis, B. T. M.

doi:10.1107/97809553602060000600

Cited by 207 publications

(236 citation statements)

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“…where f ␣ ͑k͒ is an atomic scattering factor which is tabulated in "International Tables for Crystallography," 22 and ␣ is an index for the atoms in a molecule. The interference term S i ͑k͒ is expressed as…”

Section: Resultsmentioning

confidence: 99%

Pressure dependence of local structure in liquid carbon disulfide

Yamamoto

Ishibashi

Inamura

et al. 2006

The Journal of Chemical Physics

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High pressure x-ray diffraction measurements on liquid carbon disulfide up to 1.2 GPa are performed by using an energy dispersion method. The results are compared with a molecular dynamics calculation with usual Lennard-Jones potential. They give very good agreement for all pressures measured. It becomes clear that the liquid structure changes like hard core liquid up to the pressure just below crystallizing point. The relation between structural change and optical response at high pressure is discussed.

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Section: Resultsmentioning

confidence: 99%

Pressure dependence of local structure in liquid carbon disulfide

Yamamoto

Ishibashi

Inamura

et al. 2006

The Journal of Chemical Physics

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“…The crystal structure model was taken from single crystal analyses (2008) [13,14], which has a cubic structure with the space group of Fd3m(227) at room temperature. Atomic scattering factors of Co 2+ , Fe 3+ and O 2- [15] were applied and anomalous scattering factors of Co and Fe metals were taken from Sasaki (1989) [8]. We used anomalous scattering factors of neutral atoms and they are different from those of ions.…”

Section: Rietveld Analysismentioning

confidence: 99%

Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

Tanaka

Katsuya

Sakata

2016

AIP Conference Proceedings

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“…where Z is the atomic number, V is the valence number, a 0 ' 0:53 Å is the Bohr radius and f X ðQÞ is the X-ray scattering factor (Brown et al, 2006). For neutral atoms, it is recommended to use the available DFT-computationbased parameterizations (Kirkland, 2010), which are considered to be more accurate than those from the Mott-Bethe formula, particularly at low Q values.…”

Section: Optimization Procedures For Data Scaling and Background Modelingmentioning

confidence: 99%

“…Databases of parameterization for both electron (Kirkland, 2010) and X-ray (Brown et al, 2006) scattering factors (or atomic form factors) are implemented in SUePDF. In cases of neutral atoms the electron database will be used; otherwise the X-ray database will be loaded in order to calculate the electron scattering factors for ions via the Mott-Bethe formula [equation (4)].…”

Section: Loading Electron Scattering Factorsmentioning

confidence: 99%

SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data

Tran¹,

Svensson²,

Tai³

2017

J Appl Crystallogr

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SUePDF is a graphical user interface program written in MATLAB to achieve quantitative pair distribution functions (PDFs) from electron diffraction data. The program facilitates structural studies of amorphous materials and small nanoparticles using electron diffraction data from transmission electron microscopes. It is based on the physics of electron scattering as well as the total scattering methodology. A method of background modeling is introduced to treat the intensity tail of the direct beam, inelastic scattering and incoherent multiple scattering. Kinematical electron scattering intensity is scaled using the electron scattering factors. The PDFs obtained after Fourier transforms are normalized with respect to number density, nanoparticle form factor and the non-negativity of probability density. SUePDF is distributed as free software for academic users.

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Intensity of diffracted intensities

Cited by 207 publications

References 0 publications

Pressure dependence of local structure in liquid carbon disulfide

Pressure dependence of local structure in liquid carbon disulfide

Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data

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