Quantitative Analysis of Sulfated Calcium Carbonates Using Raman Spectroscopy and X-ray Powder Diffraction

The Analyst ◽  
1997 ◽  
Vol 122 (1) ◽  
pp. 33-38 ◽  
Author(s):  
Christos G. Kontoyannis ◽  
Malvina G. Orkoula ◽  
Petros G. Koutsoukos
Keyword(s):  
Raman Spectroscopy ◽  
Quantitative Analysis ◽  
Powder Diffraction ◽  
Calcium Carbonates ◽  
X Ray

Two examples of quantitative analysis by simulated X-ray powder diffraction patterns

Clay Minerals ◽  
1982 ◽  
Vol 17 (4) ◽  
pp. 393-399
Author(s):  
C. E. Corbato ◽  
R. T. Tettenhorst
Keyword(s):  
Quantitative Analysis ◽  
Pattern Matching ◽  
Powder Diffraction ◽  
X Ray ◽  
Quantitative Estimates ◽  
Powder Diffractometer ◽  
Alternative Method ◽  
Two Samples ◽  
Natural Mixture ◽  
Diffraction Patterns

AbstractQuantitative estimates were made by visually matching computer-simulated with experimental X-ray powder diffractometer patterns for two samples. One was a natural mixture of dickite and nacrite in about equal proportions. The second sample contained mostly quartz with corundum and mullite in small (0.5–1%) amounts. Percentages deduced from pattern matching agreed to within ±10% of the weight fractions of the components determined by an alternative method of analysis.

Probing Octahedral Tilting in Dion-Jacobson Layered Perovskites With Neutron Powder Diffraction and Raman Spectroscopy

2006 ◽  
Vol 988 ◽  
Author(s):  
Joshu A. Kurzman ◽  
Margret J. Geselbracht
Keyword(s):  
Raman Spectroscopy ◽  
Powder Diffraction ◽  
Neutron Powder Diffraction ◽  
Layered Perovskite ◽  
Strontium Content ◽  
Solid Solution Formation ◽  
X Ray ◽  
Unit Cells ◽  
Octahedral Tilting ◽  
Average Size

AbstractTwo new Dion-Jacobson type layered perovskite solid solutions, RbCa2-xSrxM3O10 (M = Nb, Ta; 0 ≤ x ≤ 2), were prepared and studied by X-ray powder diffraction, neutron powder diffraction, and Raman spectroscopy. X-ray powder diffraction confirmed single-phase solid solution formation with continuous expansion of the idealized primitive tetragonal unit cell with increasing strontium content. Neutron powder diffraction studies of selected samples revealed lower symmetries and larger unit cells, as necessitated by octahedral tilting within the perovskite slabs, compared to the idealized primitive cell. As the average size of the A-cation in the perovskite slab is varied from Sr2+ to Ca2+, more extensive octahedral tilting is introduced. Vibrational modes of the perovskite slab observed using Raman spectroscopy show subtle changes as a function of calcium/strontium content and more intriguing differences between the isostructural niobates and tantalates.

scholarly journals Copper-Containing Agates of the Avacha Bay (Eastern Kamchatka, Russia)

Minerals ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 1124
Author(s):  
Galina Palyanova ◽  
Evgeny Sidorov ◽  
Andrey Borovikov ◽  
Yurii Seryotkin
Keyword(s):  
Raman Spectroscopy ◽  
Powder Diffraction ◽  
Fluid Inclusions ◽  
Silica Matrix ◽  
Native Copper ◽  
X Ray ◽  
Eastern Kamchatka ◽  
Copper Mineralization ◽  
Avacha Bay ◽  
Copper Sulphides

The copper-containing agates of the Avacha Bay (Eastern Kamchatka, Russia) have been investigated in this study. Optical microscopy, scanning electron microscopy, electron microprobe analysis, X-ray powder diffraction, Raman spectroscopy, and fluid inclusions were used to investigate the samples. It was found that copper mineralization in agates is represented by native copper, copper sulphides (chalcocite, djurleite, digenite, anilite, yarrowite, rarely chalcopyrite) and cuprite. In addition to copper minerals, sphalerite and native silver were also found in the agates. Native copper is localized in a siliceous matrix in the form of inclusions usually less than 100 microns in size—rarely up to 1 mm—forming dendrites and crystals of a cubic system. Copper sulphides are found in the interstices of chalcedony often cementing the marginal parts of spherule aggregates of silica. In addition, they fill the micro veins, which occupy a cross-cutting position with respect to the concentric bands of chalcedony. The idiomorphic appearance of native copper crystals and clear boundaries with the silica matrix suggest their simultaneous crystallization. Copper sulphides, cuprite, and barite micro veins indicate a later deposition. Raman spectroscopy and X-ray powder diffraction results demonstrated that the Avacha Bay agates contained cristobalite in addition to quartz and moganite. The fluid inclusions study shows that the crystalline quartz in the center of the nodule in agates was formed with the participation of solutions containing a very low salt concentration (<0.3 wt.% NaCl equivalent) at the temperature range 110–50 °C and below. The main salt components were CaCl2 and NaCl, with a probable admixture of MgCl2. The copper mineralization in the agates of the Avacha Bay established in the volcanic strata can serve as a direct sign of their metallogenic specialization.

A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes

2018 ◽  
Vol 20 (5) ◽  
pp. 3630-3636 ◽  
Author(s):  
C. Cappuccino ◽  
P. P. Mazzeo ◽  
T. Salzillo ◽  
E. Venuti ◽  
A. Giunchi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Powder Diffraction ◽  
Structure Determination ◽  
Molecular Conformation ◽  
Rapid Identification ◽  
Crystal Structure Determination ◽  
X Ray

This work presents a Raman based approach for the rapid identification of the molecular conformation in a series of new 2,3-thienoimide capped quaterthiophenes.

Characterisation of LaGdO3 by X-ray powder diffraction and raman spectroscopy

1998 ◽  
Vol 108 (9) ◽  
pp. 655-660 ◽  
Author(s):  
G.A. Tompsett ◽  
R.J. Phillips ◽  
N.M. Sammes ◽  
A.M. Cartner
Keyword(s):  
Raman Spectroscopy ◽  
Powder Diffraction ◽  
X Ray

scholarly journals X-ray powder diffraction quantitative analysis of an amorphous SiO2–poly(methyl methacrylate) nanocomposite

2008 ◽  
Vol 41 (6) ◽  
pp. 985-990 ◽  
Author(s):  
P. Riello ◽  
M. Munarin ◽  
S. Silvestrini ◽  
E. Moretti ◽  
L. Storaro
Keyword(s):  
Quantitative Analysis ◽  
Methyl Methacrylate ◽  
Powder Diffraction ◽  
Amorphous Material ◽  
Hybrid Nanocomposite ◽  
Amorphous Sio2 ◽  
X Ray ◽  
Poly Methyl Methacrylate ◽  
Quantification Method ◽  
The Individual

Quantification of individual phases within a multiphase amorphous material has been achieved using a newly developed technique based on X-ray powder diffraction. The quantification method was developed during a study of an amorphous silica–poly(methyl methacrylate) (SiO2–PMMA) hybrid nanocomposite. The efficiency of the method as a quantifying tool for individual phases was demonstrated for samples of SiO2–PMMA prepared either by polymerization of methyl methacrylate in the presence of amorphous SiO2or by mechanically mixing known quantities of the individual and pre-prepared SiO2and PMMA materials. The weight percentages of amorphous SiO2in the nanocomposites as determined by application of the new technique were analogously found to be 29%, a result that was supported by thermogravimetric analysis and helium picnometry measurements.

scholarly journals Quantitative Phase Analysis by X-ray Diffraction—Doping Methods and Applications

Crystals ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 27 ◽  
Author(s):  
Stanko Popović
Keyword(s):  
Quantitative Analysis ◽  
Phase Analysis ◽  
Powder Diffraction ◽  
Phase Fraction ◽  
Quantitative Phase Analysis ◽  
Intermetallic Alloys ◽  
X Ray Diffraction ◽  
X Ray ◽  
Quantitative Phase

X-ray powder diffraction is an ideal technique for the quantitative analysis of a multiphase sample. The intensities of diffraction lines of a phase in a multiphase sample are proportional to the phase fraction and the quantitative analysis can be obtained if the correction for the absorption of X-rays in the sample is performed. Simple procedures of quantitative X-ray diffraction phase analysis of a multiphase sample are presented. The matrix-flushing method, with the application of reference intensities, yields the relationship between the intensity and phase fraction free from the absorption effect, thus, shunting calibration curves or internal standard procedures. Special attention is paid to the doping methods: (i) simultaneous determination of the fractions of several phases using a single doping and (ii) determination of the fraction of the dominant phase. The conditions to minimize systematic errors are discussed. The problem of overlapping of diffraction lines can be overcome by combining the doping method (i) and the individual profile fitting method, thus performing the quantitative phase analysis without the reference to structural models of particular phases. Recent suggestions in quantitative phase analysis are quoted, e.g., in study of the decomposition of supersaturated solid solutions—intermetallic alloys. Round Robin on Quantitative Phase Analysis, organized by the IUCr Commission on Powder Diffraction, is discussed shortly. The doping methods have been applied in various studies, e.g., phase transitions in titanium dioxide, biomineralization processes, and phases in intermetallic oxide systems and intermetallic alloys.

Zýkait z dolu Lehnschafter u Mikulova v Krušných horách (Česká republika) - popis a Ramanova spektroskopie

2021 ◽  
Vol 29 (2) ◽  
pp. 241-248
Author(s):  
Jiří Sejkora ◽  
Roman Gramblička
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Czech Republic ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Water Molecules ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

The zýkaite samples were found at abandoned Lehnschafter mine near Mikulov in the Krušné hory Mts. (Czech Republic). It occurs as irregular white to light greenish rounded to spherical aggregates up to 1.5 cm in size composed of tiny acicular crystals up to 5 - 10 μm in length. Its empirical formula can be expressed as (Fe3.79Al0.02)Σ3.81[(AsO4)2.66(PO4)0.20(SiO4)0.07]Σ2.93 (SO4)1.07(OH)0.44·15H2O (mean of 3 spot analyzes; on the basis of As+P+S+Si = 4 apfu).Zýkaite is probably monoclinic, with the unit-cell parameters refined from X-ray powder diffraction data: a 21.195(8), b 7.052(2), c 36.518(17) Å, β 91.07(2)° and V 5458(2) Å3. Raman spectroscopy documented the presence of both (AsO4)3- and (SO4)2- units in the crystal structure of zýkaite. Multiple Raman bands connected with vibrations of water molecules and (AsO4)3- groups indicate the presence of more structurally non-equivalent these groups in the crystal stucture of zýkaite.

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