Kα2 elimination algorithm for Cu, Co and Cr radiations

1983 ◽  
Vol 16 (1) ◽  
pp. 24-27 ◽  
Author(s):  
G. Platbrood
Keyword(s):  
Calculation Method ◽  
Target Material ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
X Ray ◽  
Signal Noise ◽  
Elimination Algorithm ◽  
Suitable Target ◽  
Noise Ratio

It is well known that the extraneous Kα 2 line complicates the interpretation of X-ray diffraction spectra. Experience has shown that the arms and weights calculated by Ladell's method [Laddell, Parrish & Taylor (1959). Acta Cryst. 12, 561–567] have to be determined for each user's X-ray diffractometer, rather than using the published coefficients, for an accurate Kα 2 elimination. When different materials are analyzed, the signal/noise ratio can be optimized by choosing a suitable target material. Kα 2 correction coefficients have been calculated for Cu, Co and Cr radiations using a fast Fourier calculation method.

Signal/Noise Ratio and Elemental Detectivity by Eels

1982 ◽  
Vol 40 ◽  
pp. 488-489
Author(s):  
R. F. Egerton
Keyword(s):  
Energy Loss ◽  
Electron Energy ◽  
Elemental Analysis ◽  
Electron Energy Loss Spectroscopy ◽  
Emission Spectroscopy ◽  
X Ray ◽  
Signal Noise ◽  
Characteristic Signal ◽  
Noise Ratio ◽  
Electron Energy Loss

An important parameter governing the sensitivity and accuracy of elemental analysis by electron energy-loss spectroscopy (EELS) or by X-ray emission spectroscopy is the signal/noise ratio of the characteristic signal.

scholarly journals Theoretical study of the properties of X-ray diffraction moiré fringes. I. Corrigenda and addenda

2019 ◽  
Vol 75 (4) ◽  
pp. 652-654 ◽  
Author(s):  
Jun-ichi Yoshimura
Keyword(s):  
Theoretical Study ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
X Ray ◽  
Moiré Fringes

Seven corrections are made and several supplementary equations are added to the article by Yoshimura [Acta Cryst. (2015), A71, 368–381].

scholarly journals Theoretical study of the properties of X-ray diffraction moiré fringes. II. Illustration of angularly integrated moiré images

2019 ◽  
Vol 75 (4) ◽  
pp. 610-623
Author(s):  
Jun-ichi Yoshimura
Keyword(s):  
Incident Wave ◽  
Angular Width ◽  
X Ray Diffraction ◽  
Experimental Conditions ◽  
Acta Cryst ◽  
Low Contrast ◽  
X Ray ◽  
Moiré Fringes ◽  
Wide Range ◽  
Fringe Patterns

Using a theory of X-ray diffraction moiré fringes developed in a previous paper, labelled Part I [Yoshimura (2015). Acta Cryst. A71, 368–381], the X-ray moiré images of a silicon bicrystal having a weak curvature strain and an interspacing gap, assumed to be integrated for an incident-wave angular width, are simulation-computed over a wide range of crystal thicknesses and incident-wave angular width, likely under practical experimental conditions. Along with the simulated moiré images, the graphs of characteristic quantities on the moiré images are presented for a full understanding of them. The treated moiré images are all of rotation moiré. Mo Kα1 radiation and the 220 reflection were assumed in the simulation. The results of this simulation show that fringe patterns, which are significantly modified from simple straight fringes of rotation moiré, appear in some ranges of crystal thicknesses and incident-wave angular width, due to a combined effect of Pendellösung oscillation and an added phase difference from the interspacing gap, under the presence of a curvature strain. The moiré fringes which slope to the perpendicular direction to the diffraction vector in spite of the assumed condition of rotation moiré, and fringe patterns where low-contrast bands are produced with a sharp bend of fringes arising along the bands are examples of the modified fringe pattern. This simulation study provides a wide theoretical survey of the type of bicrystal moiré image produced under a particular condition.

Detection of a metallic glass layer by x-ray diffraction

1986 ◽  
Vol 1 (5) ◽  
pp. 629-634 ◽  
Author(s):  
J.W. McCamy ◽  
M.J. Godbole ◽  
A.J. Pedraza ◽  
D.H. Lowndes
Keyword(s):  
Target Material ◽  
Amorphous Layer ◽  
Glass Layer ◽  
X Rays ◽  
Average Thickness ◽  
X Ray Diffraction ◽  
Near Surface ◽  
X Ray ◽  
Integrated Intensity ◽  
Thickness Measurements

A simple, precise method for obtaining the average thickness of an amorphous layer formed by any surface treatment has been developed. The technique uses an x-ray diffractoeter to measure the reduction in the integrated intensity of several diffracted x-ray lines due to the near surface amorphous layer. The target material for generation of x rays is selected so that the emitted x rays are strongly absorbed by the specimen. This method permits thickness measurements down to ∼ 100 nm. It has been tested on a specimen of Fe80B20 on which an amorphous layer was produced by pulsed XeCl (308 nm) laser irradiation; the amorphous layer thickness was found to be 1.34 (∼0.1) um.

Differences and similarities among hypoxanthinium nitrate hydrate structures

2019 ◽  
Vol 75 (8) ◽  
pp. 1036-1044 ◽  
Author(s):  
Małgorzata Katarzyna Cabaj ◽  
Roman Gajda ◽  
Anna Hoser ◽  
Anna Makal ◽  
Paulina Maria Dominiak
Keyword(s):  
Room Temperature ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
X Ray ◽  
Nitrate Hydrate ◽  
Different Temperatures ◽  
Lower Temperature ◽  
Low Temperature Phase ◽  
Nitrate Anions

Crystals of hypoxanthinium (6-oxo-1H,7H-purin-9-ium) nitrate hydrates were investigated by means of X-ray diffraction at different temperatures. The data for hypoxanthinium nitrate monohydrate (C5H5N4O+·NO3 −·H2O, Hx1) were collected at 20, 105 and 285 K. The room-temperature phase was reported previously [Schmalle et al. (1990). Acta Cryst. C46, 340–342] and the low-temperature phase has not been investigated yet. The structure underwent a phase transition, which resulted in a change of space group from Pmnb to P21/n at lower temperature and subsequently in nonmerohedral twinning. The structure of hypoxanthinium dinitrate trihydrate (H3O+·C5H5N4O+·2NO3 −·2H2O, Hx2) was determined at 20 and 100 K, and also has not been reported previously. The Hx2 structure consists of two types of layers: the `hypoxanthinium nitrate monohydrate' layers (HX) observed in Hx1 and layers of Zundel complex H3O+·H2O interacting with nitrate anions (OX). The crystal can be considered as a solid solution of two salts, i.e. hypoxanthinium nitrate monohydrate, C5H5N4O+·NO3 −·H2O, and oxonium nitrate monohydrate, H3O+(H2O)·NO3 −.

Centrosymmetric or Noncentrosymmetric? Case Study, Generalization and Structural Redetermination of Sr5Nb5O17

1998 ◽  
Vol 54 (4) ◽  
pp. 399-416 ◽  
Author(s):  
S. C. Abrahams ◽  
H. W. Schmalle ◽  
T. Williams ◽  
A. Reller ◽  
F. Lichtenberg ◽  
...  
Keyword(s):  
Niobium Oxide ◽  
The Novel ◽  
Physical Measurement ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
Data Set ◽  
Space Group ◽  
X Ray ◽  
Atomic Coordinates

The possibility that the structure of the novel semiconducting perovskite-related material strontium niobium oxide, Sr5Nb5O17, refined by Schmalle et al. [Acta Cryst. (1995), C51, 1243–1246] in space group Pnn2, might instead belong to space group Pnnm has been investigated following an analysis of the atomic coordinates that indicated the latter space group to be more likely. All I obs were carefully remeasured, first those within a hemisphere containing c *, then all that lay within the full sphere of reflection. Refinement was undertaken, with each of two different sets of weights, in each space group. Each data set was used under three limiting intensity conditions: I obs > 4σ(I obs), I obs > 2σ(I obs) and finally with all reflections, but setting magnitudes with I obs ≤ 0 equal to 0. Fourteen separate tests based only upon the X-ray diffraction data may be used to distinguish between Pnn2 and Pnnm. Nine tests favored the latter choice, four were indeterminate and one was not used. Seven further tests may be made on the basis of physical measurement; of these, three strongly indicated Pnnm, one was indeterminate and three could not be used. The evidence clearly suggests the space group is Pnnm. The use of all reflections, including those with negative magnitude set equal to zero, is essential to avoid ambiguity in the X-ray diffraction tests and achieve the highest reliability. Refinement with weights based on variances of Type A and Type B [Schwarzenbach et al. (1995). Acta Cryst. A51, 565–569] resulted in improved reliability compared with that obtained from a popular empirical weighting scheme. The revised structure differs in several respects from that published previously.

X-Ray Polarization: Bragg Diffraction and X-Ray Flurorescence

1982 ◽  
Vol 26 ◽  
pp. 331-336
Author(s):  
John D. Zahrt
Keyword(s):  
State Of The Art ◽  
Detection Limits ◽  
Bragg Diffraction ◽  
X Rays ◽  
X Ray ◽  
Signal Noise ◽  
Noise Ratio ◽  
Minimum Detection Limits

Recent, state of the art, x-ray spectrometers have made use of polarizing the source x-rays by scattering through 90° (1) . One then observes the analyte fluorescence in a direction perpendicular to the scattering plane in which the polarized x-rays are generated. The signal/noise ratio at the detector is much improved. Unfortunately there is a concomitant loss of intensity and analysis times increase. This adversely affects the minimum detection limits.

Enhancing the Signal-to-Noise Ratio of X-ray Diffraction Profiles by Smoothed Principal Component Analysis

2005 ◽  
Vol 77 (20) ◽  
pp. 6563-6570 ◽  
Author(s):  
Zeng Ping Chen ◽  
Julian Morris ◽  
Elaine Martin ◽  
Robert B. Hammond ◽  
Xiaojun Lai ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Signal To Noise Ratio ◽  
Principal Component ◽  
Component Analysis ◽  
X Ray Diffraction ◽  
Signal To Noise ◽  
X Ray ◽  
Noise Ratio

The location of p-dichlorobenzene in a single crystal of zeolite H-ZSM-5 at high sorbate loading

1996 ◽  
Vol 52 (1) ◽  
pp. 140-144 ◽  
Author(s):  
H. van Koningsveld ◽  
J. C. Jansen ◽  
H. van Bekkum
Keyword(s):  
Single Crystal ◽  
Cross Sections ◽  
Unit Cell ◽  
Molecular Axis ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Acta Cryst ◽  
Elliptical Cross ◽  
X Ray ◽  
Structural Aspects

The crystal structure of a high-loaded complex of H-ZSM-5 with eight molecules of p-dichlorobenzene per unit cell has been solved by single-crystal X-ray diffraction. The orthorhombic space group P212121 with a = 20.102 (6), b = 19.797 (9), c = 13.436 (3) Å and V = 5347 (3) Å3 has four Si23.92Al0.08O48.2C6H4Cl2 units per unit cell. Dx = 2.164 Mg m−3, λ(MoKα) = 0.71073 Å and μ(Mo Kα) = 0.876 mm−1. The final R(wR) = 0.046 (0.039), w = 1/σ 2(F), for 6090 observed reflections with I > 1.0σ(I) measured at 293 K. The straight channel parallel to [010] is slightly corrugated. The elliptical cross sections have limiting apertures of 6.0 × 4.9 Å (r oxygen = 1.35 Å). The sinusoidal channel parallel to [100] is elliptical with major and minor axes of 6.1 × 4.8 Å, respectively. One of the two independent p-dichlorobenzene molecule lies at the intersection of the straight and sinusoidal channels with its long molecular axis almost parallel to (100) and deviating ~8° from [010]. The second p-dichlorobenzene molecule is in the sinusoidal channel. Its long molecular axis deviates almost 7° from [100] and is practically parallel to (010). The structural aspects are in all details comparable to those in the high-loaded H-ZSM-5/p-xylene complex [van Koningsveld, Tuinstra, van Bekkum & Jansen (1989). Acta Cryst. B45, 423–431] , except for the main interaction forces between the p-dichlorobenzene molecules at the channel intersection.

scholarly journals Estimating the structure factors in X-ray diffraction

2018 ◽  
Vol 74 (5) ◽  
pp. 481-498 ◽  
Author(s):  
Paul F. Fewster
Keyword(s):  
Diffraction Theory ◽  
Bragg Angle ◽  
Enhancement Effect ◽  
Diffraction Effect ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
X Ray ◽  
Background Removal ◽  
Structure Factors ◽  
Path Lengths

This article takes the concepts of the `new diffraction theory' [Fewster (2014). Acta Cryst. A70, 257–282] and examines the implications for the interpretation of experimental results and the estimation of structure factors. Further experimental evidence is included to justify the conclusions in the theory, showing that the residual intensity at twice the Bragg angle is a diffraction effect and not associated with the crystal shape. This `enhancement' effect is independent of whether kinematical or dynamical theories are applied and can lead to a clearer understanding of how the dynamical effects are suppressed in imperfect crystals. By applying the idea that the higher-order peaks are due to path lengths of nλ, it is shown that `systematically absent' reflections in the conventional theory may not be absent. Because this new theory considers the intensity to be more distributed, it suggests that the entire structure factor can be difficult to capture by experiment. This article suggests some routes to achieve a good approximation of the structure factors for typical methods of data collection. Any measurement of intensity with background removal will exclude some of the distributed intensity, again leading to an underestimate of the structure factors, and therefore the missing intensity needs to be estimated.

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