X-Ray Diffraction, and Raman Scattering Study of Nanostructured ZrO2-TiO2 Oxides Prepared by Sol–Gel

2008 ◽  
Vol 8 (12) ◽  
pp. 6623-6629 ◽  
Author(s):  
M. E. Manriquez ◽  
M. Picquart ◽  
X. Bokhimi ◽  
T. López ◽  
P. Quintana ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Anatase Phase ◽  
Sol Gel ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Different Temperatures ◽  
Scattering Study ◽  
A Minor

In the present work, we study the phase composition of ZrO2-TiO2 system by means of XRD and Raman spectroscopy, using also TG-ATD, and N2 adsorption isotherms as complementary characterization techniques. TiO2-ZrO2 samples of selected compositions (0, 10, 90, 50 and 100% in weight of TiO2) were prepared by sol–gel method and annealed at three different temperatures (400, 600 and 800 °C). Structural characterization reveals that only the pure oxides are crystalline at 400 °C: TiO2 as anatasa with a minor brookite component, and ZrO2 as a mixture of tetragonal (majority) and monoclinic phases. Following the 600 °C calcination, the TiO2-ZrO2 50–50% sample forms the ZrTiO4 mixed oxide, although this materials remains partly amorphous. In contrast, samples with higher and lower TiO2 content form solid solutions with, respectively, anatasa and tetragonal ZrO2 structures. Zirconium incorporation into the TiO2 lattice leads to the expansion of the unit cell parameters, and it stabilizes the anatase phase, hindering its transformation into rutile. Similarly, dissolving titanium atoms into the ZrO2 structure delays the transformation from the tetragonal to the monoclinic polymorph.

scholarly journals Bulachite, [Al6(AsO4)3(OH)9(H2O)4]⋅2H2O from Cap Garonne, France: Crystal structure and formation from a higher hydrate

2020 ◽  
Vol 84 (4) ◽  
pp. 608-615
Author(s):  
Ian E. Grey ◽  
Emre Yoruk ◽  
Stéphanie Kodjikian ◽  
Holger Klein ◽  
Catherine Bougerol ◽  
...  
Keyword(s):  
Unit Cell ◽  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Different Temperatures ◽  
Using Data ◽  
Hydrated Aluminium

AbstractBulachite specimens from Cap Garonne, France, comprise two intimately mixed hydrated aluminium arsenate minerals with the same Al:As ratio of 2:1 and with different water contents. The crystal structures of both minerals have been solved using data from low-dose electron diffraction tomography combined with synchrotron powder X-ray diffraction. One of the minerals has the same powder X-ray diffraction pattern (PXRD) as for published bulachite. It has orthorhombic symmetry, space group Pnma with unit-cell parameters a = 15.3994(3), b = 17.6598(3), c = 7.8083(1) Å and Z = 4, with the formula [Al6(AsO4)3(OH)9(H2O)4]⋅2H2O. The second mineral is a higher hydrate with composition [Al6(AsO4)3(OH)9(H2O)4]⋅8H2O. It has the same Pnma space group and unit-cell parameters a = 19.855(4), b = 17.6933(11) and c = 7.7799(5) Å i.e. almost the same b and c parameters but a much larger a parameter. The structures are based on polyhedral layers, parallel to (100), of composition [Al6(AsO4)3(OH)9(H2O)4] and with H-bonded H2O between the layers. The layers contain [001] spiral chains of edge-shared octahedra, decorated with corner connected AsO4 tetrahedra that are the same as in the mineral liskeardite. The spiral chains are joined together by octahedral edge-sharing to form layers parallel to (100). Synchrotron PXRD patterns collected at different temperatures during heating of the specimen show that the higher-hydrate mineral starts transforming to bulachite when heated to 50°C, and the transformation is complete between 75 and 100°C.

scholarly journals Linarite from the Ag-Pb ore deposit at Kletné near Suchdol nad Odrou (Jeseníky Culm, Vítkov Highlands)

2016 ◽  
Vol 65 (1) ◽  
pp. 88-96 ◽  
Author(s):  
Vladimír Hrazdil ◽  
Stanislav Houzar ◽  
Jiří Sejkora ◽  
Šárka Koníčková ◽  
Lenka Jarošová
Keyword(s):  
Raman Spectroscopy ◽  
Chemical Composition ◽  
Chemical Analyses ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Ore Deposit ◽  
X Ray ◽  
Cell Parameters ◽  
Copper Sulfides ◽  
Dark Blue

Abstract Linarite, PbCu2+(SO4)(OH)2, and associated minerals were studied at new locality near Kletné, where they occur in dump material of historic Ag-Pb mines exploited during the 16th century. Linarite forms thin blue coatings and tiny dark blue crystals (<1 mm in size) in small cavities, in assemblage with cerussite, brochantite and supergene copper sulfides. Mineral was identified by chemical analyses (electron microprobe), Raman spectroscopy and powder X-ray diffraction analysis. Chemical composition of the studied linarite can be expressed by empirical formula Pb0.98Cu1.06(SO4)Σ0.96(OH)2.15 and its refined unit-cell parameters are: a = 9.6944(3), b = 5.6499(2), c = 4.6846(1) Å, ß = 102.669(3)° and V = 250.50(1) Å3. Linarite formed together with other supergene minerals in the oxidation zone of the deposit by weathering of Pb- and Cu-sulphides.

X-Ray Diffraction and Raman Scattering Study of Sr1-xBi2+yTa2O9 Nanoparticles

2005 ◽  
Vol 475-479 ◽  
pp. 3539-3542
Author(s):  
Yu Zhou ◽  
Hua Ke ◽  
De Chang Jia ◽  
W. Wang ◽  
J.C. Rao
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Curie Temperature ◽  
Size Effects ◽  
Sol Gel ◽  
Large Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Scattering Study ◽  
The Stability

Sr1-xBi2+yTa2O9 (x, y=0.2, 0) nanoparticles, synthesized by a sol-gel method, are investigated by X-ray diffraction and Raman spectroscopy. Large structure distortion shows the size effects in nanoparticles, which gives rise to the Raman bands broadening. The Bi content is the most important factor responsible for non-stoichiometric SrBi2Ta2O9 structure distortion and providing the larger ferroelectric spontaneous polarization and the higher Curie temperature. The stability of the crystal structure is discussed in consideration of inner compressive stress in nanoparticles.

Rietveld refinement of X-ray powder diffraction data of Ca0.925Ce0.075Mn0.9Fe0.1O3 polycrystalline material

2018 ◽  
Vol 33 (4) ◽  
pp. 303-305
Author(s):  
G. Murugesan ◽  
K. R. Nandan ◽  
S. Kalainathan
Keyword(s):  
Single Phase ◽  
Polycrystalline Material ◽  
General Structure ◽  
Sol Gel ◽  
Powder Diffraction Data ◽  
Orthorhombic Structure ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

Polycrystalline Ca0.925Ce0.075Mn0.9Fe0.1O3 were prepared by sol-gel reaction at 1073 K. The compound was analyzed by a powder X-ray diffraction technique and found to be in single phase. The unit-cell parameters and atomic positions were refined using General Structure Analysis to an orthorhombic structure with space group Pnma (#62) a = 5.281 90 (33) Å, b = 7.4968 (45) Å, and c = 5.302 90 (32) Å.

Growth and Properties of Ytterbium Doped KY(WO4)2 Nanocomposites

2007 ◽  
Vol 128 ◽  
pp. 25-30 ◽  
Author(s):  
M.T. Borowiec ◽  
A. Deptuła ◽  
Witold Łojkowski ◽  
Stanislaw Gierlotka ◽  
V.P. Dyakonov ◽  
...  
Keyword(s):  
Monoclinic Phase ◽  
Sol Gel ◽  
X Ray Diffraction ◽  
Nanocomposite Powder ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
X Band ◽  
Spin Resonance ◽  
Sol Gel Process

Nanocomposites (nanocrystals) of KY(WO4)2 and KY(WO4)2+1% mol Yb were synthesized using a Complex Sol-Gel Process (CSGP). A chemical treatment with concentrated nitric acid and hydrogen peroxide was used to reduce the decarbonisation temperature. The expected monoclinic phase C2/c of the KYW of the nanocomposite powder was confirmed using XDR. From the X-ray diffraction measurements, the unit cell parameters and the size of nanoparticles was determined. Electron spin resonance studies in the X band were carried out on KYW and KYW:Yb nanocrystals. The sintered samples were made with using the high pressure technique at temperatures up to 600oC. In addition chemical analysis, X-ray diffraction measurements and ESR investigations were carried out on the sintered samples.

Structural Study of a new Compound Based on Acid 1,4-Cyclohexanedicarboxylic (1,4-CDC)

2010 ◽  
Vol 6 (1) ◽  
pp. 891-896
Author(s):  
Manel Halouani ◽  
M. Dammak ◽  
N. Audebrand ◽  
L. Ktari
Keyword(s):  
Aqueous Solution ◽  
Water Molecules ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Compound I ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Cyclohexanedicarboxylic Acid

One nickel 1,4-cyclohexanedicarboxylate coordination polymers, Ni2 [(O10C6H4)(COO)2].2H2O  (I), was hydrothermally synthesized from an aqueous solution of Ni (NO3)2.6H2O, (1,4-CDC) (1,4-CDC = 1,4-cyclohexanedicarboxylic acid) and tetramethylammonium nitrate. Compound (I) crystallizes in the monoclinic system with the C2/m space group. The unit cell parameters are a = 20.1160 (16) Å, b = 9.9387 (10) Å, c = 6.3672 (6) Å, β = 97.007 (3) (°), V= 1263.5 (2) (Å3) and Dx= 1.751g/cm3. The refinement converged into R= 0.036 and RW = 0.092. The structure, determined by single crystal X-ray diffraction, consists of two nickel atoms Ni (1) and Ni (2). Lots of ways of which is surrounded by six oxygen atoms, a carboxyl group and two water molecules.

scholarly journals Crystallization and preliminary X-ray diffraction analysis of the Csu pili CsuC–CsuA/B chaperone–major subunit pre-assembly complex fromAcinetobacter baumannii

2015 ◽  
Vol 71 (6) ◽  
pp. 770-774 ◽  
Author(s):  
Natalia Pakharukova ◽  
Minna Tuittila ◽  
Sari Paavilainen ◽  
Anton Zavialov
Keyword(s):  
Diffusion Method ◽  
X Ray Diffraction ◽  
Hanging Drop ◽  
Unit Cell Parameters ◽  
Gram Negative ◽  
X Ray ◽  
Cell Parameters ◽  
Abiotic Surfaces ◽  
Vapour Diffusion ◽  
Fimbrial Adhesins

The attachment of many Gram-negative pathogens to biotic and abiotic surfaces is mediated by fimbrial adhesins, which are assembledviathe classical, alternative and archaic chaperone–usher (CU) pathways. The archaic CU fimbrial adhesins have the widest phylogenetic distribution, yet very little is known about their structure and mechanism of assembly. To elucidate the biogenesis of archaic CU systems, structural analysis of the Csu fimbriae, which are used byAcinetobacter baumanniito form stable biofilms and cause nosocomial infection, was focused on. The major fimbriae subunit CsuA/B complexed with the CsuC chaperone was purified from the periplasm ofEscherichia colicells co-expressing CsuA/B and CsuC, and the complex was crystallized in PEG 3350 solution using the hanging-drop vapour-diffusion method. Selenomethionine-labelled CsuC–CsuA/B complex was purified and crystallized under the same conditions. The crystals diffracted to 2.40 Å resolution and belonged to the hexagonal space groupP6422, with unit-cell parametersa=b= 94.71,c = 187.05 Å, α = β = 90, γ = 120°. Initial phases were derived from a single anomalous diffraction (SAD) experiment using the selenomethionine derivative.

Silicate-germanate K2Y[(Si3Ge)O10(OH)] with unusual complex corrugated layer and its correlation to ring silicate gerenite and chain silicate chkalovite

2020 ◽  
Vol 235 (4-5) ◽  
pp. 167-172
Author(s):  
Anastasiia P. Topnikova ◽  
Elena L. Belokoneva ◽  
Olga V. Dimitrova ◽  
Anatoly S. Volkov ◽  
Leokadiya V. Zorina
Keyword(s):  
Low Temperature ◽  
Cross Section ◽  
Complex Anion ◽  
Diffraction Experiment ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Chain Silicate ◽  
Novel Complex

AbstractA new silicate-germanate K2Y[(Si3Ge)O10(OH)] was synthesized hydrothermally in a system Y2O3:GeO2:SiO2 = 1:1:2 (T = 280 °C; P = 90–100 atm.); K2CO3 was added to the solution as a mineralizer. Single-crystal X-ray diffraction experiment was carried out at low temperature (150 K). The unit cell parameters are a = 10.4975(4), b = 6.9567(2), c = 15.4001(6) Å, β = 104.894(4)°; V = 1086.86(7) Å3; space group is P 21/c. A novel complex anion is presented by corrugated (Si,Ge) tetrahedral layers connected by couples of YO6 octahedra into the mixed microporous framework with the channels along b and a axes, the maximal size of cross-section is ~5.6 Å. This structure has similarity with the two minerals: ring silicate gerenite (Ca,Na)2(Y,REE)3Si6O18 · 2H2O and chain silicate chkalovite Na2BeSi2O6. Six-member rings with 1̅ symmetry as in gerenite are distinguished in the new layer. They are mutually perpendicular to each other and connected by additional tetrahedra. Straight crossing chains in chkalovite change to zigzag four-link chains in the new silicate-germanate layer.

X-ray powder diffraction data of LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites

2021 ◽  
pp. 1-6
Author(s):  
Mariana M. V. M. Souza ◽  
Alex Maza ◽  
Pablo V. Tuza
Keyword(s):  
Crystal Structure ◽  
Rietveld Method ◽  
Pechini Method ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Modified Pechini Method ◽  
Scanning Electron

In the present work, LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites were synthesized by the modified Pechini method. These materials were characterized using X-ray fluorescence, scanning electron microscopy, and powder X-ray diffraction coupled to the Rietveld method. The crystal structure of these materials is orthorhombic, with space group Pbnm (No 62). The unit-cell parameters are a = 5.535(5) Å, b = 5.527(3) Å, c = 7.819(7) Å, V = 239.2(3) Å3, for the LaNi0.5Ti0.45Co0.05O3, a = 5.538(6) Å, b = 5.528(4) Å, c = 7.825(10) Å, V = 239.5(4) Å3, for the LaNi0.45Co0.05Ti0.5O3, and a = 5.540(2) Å, b = 5.5334(15) Å, c = 7.834(3) Å, V = 240.2(1) Å3, for the LaNi0.5Ti0.5O3.

scholarly journals Crystal Structure Refinements of Four Monazite Samples from Different Localities

Minerals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1028 ◽  
Author(s):  
M. Mashrur Zaman ◽  
Sytle M. Antao
Keyword(s):  
Crystal Structure ◽  
Electron Probe ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Large Unit Cell ◽  
A Site

This study investigates the crystal chemistry of monazite (APO4, where A = Lanthanides = Ln, as well as Y, Th, U, Ca, and Pb) based on four samples from different localities using single-crystal X-ray diffraction and electron-probe microanalysis. The crystal structure of all four samples are well refined, as indicated by their refinement statistics. Relatively large unit-cell parameters (a = 6.7640(5), b = 6.9850(4), c = 6.4500(3) Å, β = 103.584(2)°, and V = 296.22(3) Å3) are obtained for a detrital monazite-Ce from Cox’s Bazar, Bangladesh. Sm-rich monazite from Gunnison County, Colorado, USA, has smaller unit-cell parameters (a = 6.7010(4), b = 6.9080(4), c = 6.4300(4) Å, β = 103.817(3)°, and V = 289.04(3) Å3). The a, b, and c unit-cell parameters vary linearly with the unit-cell volume, V. The change in the a parameter is large (0.2 Å) and is related to the type of cations occupying the A site. The average <A-O> distances vary linearly with V, whereas the average <P-O> distances are nearly constant because the PO4 group is a rigid tetrahedron.

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