Science method
X-ray Diffraction - Science method
The scattering of x-rays by matter, especially crystals, with accompanying variation in intensity due to interference effects. Analysis of the crystal structure of materials is performed by passing x-rays through them and registering the diffraction image of the rays (CRYSTALLOGRAPHY, X-RAY). (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Publications related to X-ray Diffraction (10,000)
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Crveni mulj predstavlja nusproizvod koji nastaje Bayerovim procesom ekstrakcije aluminija iz boksitne rude. Jedna od dvije deponije crvenog mulja u Bosni i Hercegovini je situirana u blizini naselja Dobro Selo, 9.5 km jugozapadno od Mostara, u koju je odloženo 4 160 000 tona crvenog mulja. Instrumentalnim laboratorijskim analizama (XRF, XRD i SEM)...
A series of Zr/Ti ratios varying from (40/60) to (60/40) were carried out for regaining the morphotropic phase boundary (MPB) region in PZT system. In order to optimize the Zr/Ti ratio required, the systematic study was conducted for exploring the effect on phase composition, microstructure, and electric properties by different Zr/Ti ratio. The XRD...
The crystal structure of 3-nitrobenzonitrile, C 7 H 4 N 2 O 2 , was elucidated by low-temperature single-crystal X-ray diffraction. The compound crystallizes in the Sohncke space group P 2 1 and features two molecules in the unit cell. Aromatic π–π stacking leads to stacks of molecules in the [100] direction. The absolute structure was established...
![Involved composition of glass [wt%]](publication/374082241/figure/tbl1/AS:11431281190395179@1695315736659/Involved-composition-of-glass-wt_Q320.jpg)
In this study, BaO-ZnO-TiO 2 SiO 2 was used as the research system, and IR, XRD and DTA analysis were used to study the structure, thermal behavior, crystallization phenomenon and chemical stability of the glass when different proportions of ZnO gradually replaced BaO in this system. The results indicate that replacing BaO with ZnO does not change...
The title dibromodisalicylaldehyde, obtained as a by-product in the m-chloroperoxybenzoic acid oxidation of 5-bromo-2-(methoxymethoxy)benzaldehyde, has been characterised by IR and NMR spectroscopy and X-ray diffraction. The structure features two independent molecules with a π–π stacking interaction between them.
The Li-excess disordered rock salt cathode material, Li1.2Ni0.2Ti0.6O2, was synthesized via the sol–gel method to investigate the impact of different sintering temperatures on its structure, morphology, and electrochemical performance. X-ray diffraction (XRD) analysis revealed a cubic rock salt structure for the material. Raman spectroscopy indicat...
XynAF1 from Aspergillus fumigatus Z5 is an efficient thermophilic xylanase belonging to glycoside hydrolase family 10 (GH10). The non-catalytic amino acids N179 and R246 in its catalytic center formed one and three intermolecular H-bonds with the substrate in the aglycone region, respectively. Here we purified XynAF1-N179S and XynAF1-R246K, and obt...
Long-lasting phosphors, SrAl2O4: Eu, Dy and CaAl2O4: Eu, Nd, have been prepared by a short process using the spark plasma sintering method. The raw oxide powders were mixed for 5 min using a high-energy mill. Subsequently, solid-state reaction and sintering were simultaneously performed for approximately 20 min using a spark plasma sintering appara...
An ionic compound consisting of a triazolium cation and bromide anion, C 7 H 14 N 3 ⁺ ·Br ⁻ , has been synthesized and structurally characterized using single-crystal X-ray diffraction and NMR. The compound crystallizes in the monoclinic space group P 2 1 / m with the non-hydrogen atoms of one cation lying on general positions and the others lying...
![Assignments of the Raman bands [22].](publication/373894390/figure/tbl1/AS:11431281188803873@1694781802700/Assignments-of-the-Raman-bands-22_Q320.jpg)
Na 2 MoO 4 and Na 2 WO 4 are isostructural semiconductors, belonging to the spinel class. They have interesting properties and find applications in numerous sectors. These properties can be tuned by controlling the composition of their solid solutions. Here, different methods to obtain these compounds are presented, both wet and solid-state synthes...
Montmorillonite clay is a problematic soil for both geotechnical and pavement engineers. Therefore, identifying the presence of the expansive montmorillonite clay mineral within the soil matrix using a simple and inexpensive method is of paramount importance. This paper presents a simple method of identifying the primary clay minerals, namely kaoli...
New palladium(0) and palladium(ii) complexes with N-heterocyclic carbene (NHC) ligands derived from nitron and its derivatives were synthesized. The structures of most of these complexes were established by single-crystal X-ray diffraction studies. Among the new complexes, the palladium complex with a monodentate NHC ligand derived from nitron demo...
A study of the mechanism of Sn out-diffusion was performed by annealing Ge0.905Sn0.095 layers at 300 °C. The changes in Sn composition and strain state were confirmed by x-ray diffraction and photoluminescence spectroscopy. Surface defects, appearing as Sn particles, with the highest density of 3.5 × 108 cm−2 were detected by atomic force microscop...
The phase equilibria of the SnBi2Te4-PbBi2Te4-Bi2Te3 system were experimentally studied using differential thermal analysis (DTA), X-ray diffraction (XRD), and scanning electron microscopy (SEM) techniques. According to the experimental results, the isothermal section of the system at 300 K were constructed and 4 single-phase and 3 two-phase region...
In this paper, different ions incorporated Ca12Al14O33 nanophosphors, labeled as C0.5Ti-0.5LaA, C0.1La-0.03CuA, C0.2Cr-0.08EuA and C0.2Cr-0.07CeA (where added ions in mol%), were synthesized by sol–gel method and their phase purity were characterized by X-ray diffraction. Their thermoluminescence (TL) response were checked using γ—test dose of 5 Gy...
Clarifying dynamic processes of materials is an important research topic in materials science. Time-resolved X-ray diffraction is a powerful technique for probing dynamic processes. To understand the dynamics, it is essential to analyze time-series data using appropriate time-evolution models and accurate start times of dynamic processes. However,...
In this study, LiFe1−
xPbxPO4 (x = 0–0.12) powders were successfully produced
by solid-state technique. The XRD patterns of the samples exhibit that the main
phase is LiFePO4
with minor impurity phases of PbO and Fe2O3
in the structure,
in which the phase ratio of PbO increases with increasing doping content. Four
probe electrical resistance measur...
Residual stresses strongly influence the load‐bearing capacity of steel members under compressive axial loads. Current developments in steel and steel‐concrete composite structures imply the use of high‐strength steel grades up to 960 MPa. For such steel plates, only limited results of residual stress investigations are known so far. The authors ha...
A new double perovskite compound with nominal composition Y2MgRuO6 is synthesized by the floating zone technique. X-ray diffraction measurements reveal a monoclinic crystal structure with space group P21/n and monoclinic angle β = 90.178(1)∘ as crystallographically expected for a double perovskite. A composition of Y1.880(8)Mg0.953(4)Ru1.047(4)O6−δ...
In this study, three series of polydentate N,O-ligands possessing unsymmetrical urea fragments attached to a p-cresol scaffold are obtained, namely mono- and bi-substituted open-chain aromatics, synthesised using a common experiment, as well as fused aryloxazinones. Separate protocols for the preparation of each series are developed. It is found th...
PbFe12O19 from this mixture and BaFe12O19 And (Pb (BaFe12O19), as the samples were examined using an X-ray diffraction device, and it was found that the patterns of diffraction rays X-ray (XRD) for the three samples, respectively. I showed Results that All samples are polycrystalline, as shown tops X-ray diffraction of hexa- A with Miller coefficie...
The solid-state structure of the title salt/adduct (systemic name: bis{[2-(4-acetyloxy-1 H -indol-3-yl)ethyl](ethyl)propylazanium} but-2-enedioate–( E )-butenedioic acid (1/1)), 2C 17 H 25 N 2 O 2 ⁺ ·C 4 H 2 O 4 ²⁻ ·C 4 H 4 O 4 , was determined by single-crystal X-ray diffraction. The asymmetric unit consists of a singly protonated tryptammonium ca...
In this study, a series of perovskite-phase xLaCoO3-(1 − x)CaCu3Ti4O12 [xLC-(1 − x)CCTO, with x = 0.02, 0.04, 0.08, 0.15] negative temperature coefficient (NTC) ceramics were fabricated by a solid-state reaction method. XRD analysis indicated that the ceramics consisted of a body-centered cubic perovskite phase. The grain size of the prepared sampl...
![(a) Crystal structure of UIr2Si2\documentclass[12pt]{minimal}...](publication/373741672/figure/fig1/AS:11431281187183749@1694142734472/a-Crystal-structure-of-UIr2Si2documentclass12ptminimal-usepackageamsmath_Q320.jpg)
![(a) Magnetization of UIr2Si3\documentclass[12pt]{minimal}...](publication/373741672/figure/fig2/AS:11431281187120551@1694142734890/a-Magnetization-of-UIr2Si3documentclass12ptminimal-usepackageamsmath_Q320.jpg)
![(a) Specific heat of UIr2Si2\documentclass[12pt]{minimal}...](publication/373741672/figure/fig3/AS:11431281187183752@1694142735302/a-Specific-heat-of-UIr2Si2documentclass12ptminimal-usepackageamsmath_Q320.jpg)
A single crystal of the ternary uranium silicide UIr2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_{2}$$\end{document}Si2\documentclass[12pt]{minimal} \usepackage{am...
The MetalJet source makes available new K α radiation wavelengths for use in X-ray diffraction experiments. The purpose of this paper is to demonstrate the application of indium K α radiation in independent-atom model refinement, as well as approaches using aspherical atomic form factors. The results vary greatly depending on the detector employed,...
Nanoscroll-supported platy particles were prepared by incomplete rolling-up of kaolinite layers; when the
rolling-up of the kaolinite layer followed by its exfoliation incompletely proceeds, kaolinite nanoscrolls were
found at the edge of kaolinite platy particles. To assess the support property of these nanoscroll-supported
platy particles, when t...
Los relaves son subproductos de la trituración de rocas para la extracción de minerales. Generalmente son depositados en presas de almacenamiento mediante un sistema de bombeo. La configuración suelta y saturada de estos materiales generalmente conlleva a una configuración metaestable, con vulnerabilidad a licuar bajo acción de cargas estáticas o d...
Bi2/3Cu3Ti4O12 (BCTO) and Bi2/3Cu3Ti3.95Co0.025V0.025O12 (BCTCVO) Ceramic was synthesized by using a cost-effective novel semi-wet route method. The phase formation was confirmed by XRD analysis with traces of TiO2 and CuO phases of BCTO and BCTCVO ceramic. The average crystallite sizes of BCTO and BCTCVO ceramic were found to be 40.49 and 39.72 nm...
The effects of Eu2O3 substitution on Al2O3 in CuAl(100−x) Eu(x)O2 (x = 0, 10, 30, 50, 70, and 100 mol%) were considered. In this study, all samples with a diameter of 20 mm were sintered by using solid-state reaction method. The structural analysis with XRD investigation shows that it had a hexagonal CuAlO2 structure at x = 0, 10, 30, and 50 mol%....
![Scheme 1. Synthesis of the germoxanes [(p-FC6H4)3Ge]2O (1) and...](publication/373578801/figure/fig1/AS:11431281185512091@1693659363004/Scheme-1-Synthesis-of-the-germoxanes-p-FC6H43Ge2O-1-and-p-F3CC6H43Ge2O-2_Q320.jpg)
![Scheme 2. Synthesis of the germoxanes cyclo-[(p-F3CC6H4)2GeO]4 (3) and...](publication/373578801/figure/fig2/AS:11431281185477779@1693659363060/Scheme-2-Synthesis-of-the-germoxanes-cyclo-p-F3CC6H42GeO4-3-and_Q320.jpg)
The aim of this work was to understand the main structural features and ways of formation of Ge-O bonds in organogermanium compounds under the conditions of ArnGeHal4-n (Hal = halide) hydrolysis. The structural types of these compounds were considered, providing 11 blocks (A–K). The molecular structures of the novel compounds [(p-FC6H4)3Ge]2O (1),...
This paper investigated the adsorption properties of boron nitride materials for La(III), and the possible action mechanism was put forward based on experiments. Then the boron nitride materials were characterized by SEM, TEM, XRD, and FT-IR before and after adsorption. In addition, the effects of pH, the amount of adsorbent, the concentration of L...
The presence of multiple phases/ components within a nanocomposite material impacts the properties of a nanomaterial. Therefore, there is a need to estimate the phase fraction of each component present in a sample. Spurr-Myers proposed a valuable formula for estimating the rutile and anatase phase fraction of a TiO2 sample from X-ray diffraction. H...
The iron(II) phosphate-oxalate compound, namely (C4H12N2)[Fe4(HPO4)2(C2O4)3] (abbreviated as FPC), was synthesized and studied as anode material for lithium-ion batteries (LIBs). The structure of FPC was characterized by single-crystal X-ray diffraction. The FPC anode material gives a reversible capacity of 966.1 mAh g⁻¹ after 400 cycles and good r...
X-ray diffraction techniques are widely used to estimate stresses within polycrystalline materials. The application of these techniques requires the knowledge of the X-ray elastic constants relating the lattice strains to the stress state. Different analytical methods have been proposed to evaluate the X-ray elastic constants from the single-crysta...
This research was conducted to determine the effect of varying concentrations of Zn(NO3)2·6H2O (zinc nitrate hexahydrate) on functional groups, particle size, and particle morphology of ZnO nanoparticles using the green synthesis method using Moringa leaves. The materials was used in this study were moringa leaf extract, Zn(NO3)2·6H2O with various...
Pada proses sintesis nanopartikel Fe₃O₄ menggunakan metode green synthesis dengan menambahkan FeCl₃.6H₂O dan ekstrak daun nanas. Ekstrak daun nanas digunakan sebagai reduktor alami dimana memiliki kandungan hidroksil dan karbonil, yang bertindak sebagai agen pereduksi FeCl₃.6H₂O yang disintesis. Kemudian setelah presipitat didapatkan maka selanjutn...
En el marco del relevamiento de la colección arqueológica procedente de intervenciones realizadas dentro del ejido actual del pueblo de Saujil (departamento de Tinogasta, Catamarca), en tenencia de la familia Pereira, pudo rearmarse un contexto funerario de un entierro en urna. Dentro de la olla contenedora no decorada, se hallaron dos pucos simple...
Quenched residual stress in pentagon-curved forgings (PCGs) often leads to severe deformation during subsequent machining operations. This study aims to mitigate the quenched residual stress in PCGs through the implementation of the bulging method. The edge distance ratio (e/D), a geometric characteristic of PCGs, is defined and considered in the e...
To enhance the hydrogen storage performance of Mg-Ni system alloys, multi-elemental alloys incorporating Y element, namely Mg2-xYxNi0.9Co0.1 (x = 0, 0.1, 0.2, 0.3), were synthesized through ball milling and sintering. The microstructures of Mg2-xYxNi0.9Co0.1 (x = 0, 0.1, 0.2, 0.3) alloys were characterized using XRD and SEM/EDS techniques, and the...
The changes of battery performance, crystal structure, fine structure and microstructure of positive and negative active materials in the processes of cycle and storage of lithium-ion battery were studied experimentally, and the change of battery performance was related to the structure change of positive and negative active materials. The mechanis...
The source of conductive ions in the charge and discharge process of AB5/β-Ni(OH)2, 2H-graphite/ LiMeO2and 2H-graphite/LiFePO4batteries is thought to be provided by the phase transition of positive active materials, so it is called phase transition theory. Through the detailed study of the charge and discharge processes of AB5/β-Ni(OH)2, 2H-graphit...
Residual stresses are defined as the stresses that occur in the material without the application of an external load. Their occurrence is related to the technology of production and treatment of the material. This article proposes the identification of residual stresses in a steel material for bearing production, specifically 100Cr 6 (1.3505) mater...
99Tc and 129I are two long-lived, highly soluble and mobile fission products that pose a long-term hazard. A proposed wasteform for the disposal of radio-iodine is iodovanadinite (Pb5(VO4)3I), an apatite-structured vanadate. In this investigation, a suite of potential iodovanadinite wasteforms designed for the co-disposal of Tc and I or the sole di...
Phase diagrams of the systems Na 3 AlF 6 -NdF 3 and (Na 3 AlF 6 -NdF 3 ) eut -Nd 2 O 3 were experimentally determined by thermal analysis up to 60 mol.% NdF 3 and 45 mol.% Nd 2 O 3 , respectively. The Na 3 AlF 6 -NdF 3 system was found to be a simple eutectic system with the eutectic point with the following approximate coordinates: 49 mol.% NdF 3...
Due to metal–insulator transitions occurring in those compounds, materials and devices based on vanadium (III) and (IV) oxides draw increasing scientific attention. In this paper, we observed the transitions in both oxides using contemporary laboratory equipment. Changes in the crystallographic structure were precisely investigated as a function of...
The unsymmetrical diborane(4) derivative [(d(CH2P(iPr)2)abB)-Bpin] (1) proved to be a versatile PBP boryl pincer ligand precursor for Co(I) (2a, 4a), Rh(I) (2-3b) and Ir(I/III) (2-3c, 5-6c) complexes , in particular of the types [(d(CH2P(iPr)2)abB)M(PMe3)2] (2a-c) and [(d(CH2P(iPr)2)abB)M-PMe3] (2b-c). Whilst similar complexes have been obtained be...
Updated phase diagram of the Sb2Te3-Sb2S3 system was constructed using X-ray diffraction analysis (XRD), differential thermal analysis (DTA), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) methods. In previous studies, this phase diagram was characterized as eutectic type without any intermediate compound. In this work...
RESUMO A indústria da construção como setor de atividades humanas é a que mais consome recursos naturais e utiliza energia de forma intensiva, gerando consideráveis impactos ambientais. Dentre esses resíduos, estão a lama vermelha (LV) e o Resíduo de Vidro (RV). Esse trabalho se propõe a fazer uma revisão sistemática de toda a bibliografia publicad...
Hole doping has been widely used for altering the structural and electronic properties of misfit-layered cobalties. In this work, the influence of hole doping, by Li⁺ doping to Sr²⁺ site on the thermoelectric properties of Bi1.2Pb0.33Sr1.54-xLixCa2.06Co3Oy (x = 0.03, 0.06, 0.09) samples synthesized via the sol–gel method have been investigated. The...
Superfluid helium nanodroplets are an ideal environment for the formation of metastable, self-organized dopant nanostructures. However, the presence of vortices often hinders their formation. Here, we demonstrate the generation of vortex-free helium nanodroplets and explore the size range in which they can be produced. From x-ray diffraction images...
Machine learning techniques have successfully been used to extract structural information such as the crystal space group from powder X-ray diffractograms. However, training directly on simulated diffractograms from databases such as the ICSD is challenging due to its limited size, class-inhomogeneity, and bias toward certain structure types. We pr...
In light of this great change due to global warming, researchers have attached great importance to geopolymeric binders in recent decades, and this is due to the advantages they provide over Portland cement. The purpose of this work describes the impact of the partial substitution of metakaolin on the rheological behavior and mechanical strength of...
Given the environmental and energy problems associated with the production of Portland cement (OPC), these have forced researchers in recent decades to consider the development of a new type of binder called "geopolymers". In the present study, advanced characterization techniques such as XRD and laser granulometry are used to determine the physico...
A novel X-ray diffraction (XRD) analysis technique is described for quantitatively measuring compositional inhomogeneity in Li[NixMnyCoz]O2 (NMC) cathode materials and NMC precursors. Single-phase rock salt precursors with varying degrees of compositional inhomogeneity were prepared by grinding mixtures of Ni, Mn, and Co oxides for different times...
The study of different types of synthesis of hydrotalcites were studied. In the current research, hydrotalciteslike Zn-Al-CO 3 and Ni-Al-CO 3 were synthesized using the grinding method. The reaction conditions were optimized and the best results and yields were obtained at room temperature keeping the pH constant in 30 minutes. The effect of differ...
This paper introduces the necessity and significance of the investigation of cultural heritage objects. The multi-technique method is useful for the study of cultural heritage objects, but a comprehensive analytical instrument is a better choice since it can guarantee that different types of information are always obtained from the same analytical...
Zusammenfassung
Der vorliegende Artikel präsentiert eine archäologische Methode zum Nachweis marktwirtschaftlichen Austausches anhand von Keramik, die hier als typische Handelsware definiert ist. Ein Keramikkomplex aus dem großmährischen (9. Jh.) Zentralort Staré Město bei Uherské Hradiště wurde archäometrisch (XRF, Petrographie, XRD) untersucht. D...
La microestructura de los aceros TRIP contiene cierto porcentaje de austenita retenida (fase dúctil), que se transforma progresivamente en martensita (fase dura y resistente) al alcanzar cierto nivel de deformación plástica. Este efecto, denominado "efecto TRIP", más la partición de tensiones y deformaciones entre fases, hace que los TRIP presenten...
Manganese ferrite ( Mn ferrite ) telah berhasil disintesis dengan metode kopresipitasi pada suhu 60 ℃. Mn ferrite disintesis dari pasir besi sebagai prekusornya. Tujuan dari penelitian ini untuk mensintesis Mn ferrite dari pasir besi dan menganalisis gugus fungsi serta morfologinya. Sampel dibuat dengan memvariasikan NaOH yaitu 3 M, 6 M dan 9 M. St...