The incommensurate modulation of the structure of Sr2Nb2O7

2002 ◽  
Vol 58 (6) ◽  
pp. 970-976 ◽  
Author(s):  
Peter Daniels ◽  
Rafael Tamazyan ◽  
Christine A. Kuntscher ◽  
Martin Dressel ◽  
Frank Lichtenberg ◽  
...  
Keyword(s):  
Room Temperature ◽  
X Ray Diffraction ◽  
Modulated Structure ◽  
X Ray ◽  
Area Detector ◽  
Modulation Wave ◽  
Incommensurate Modulation ◽  
Perovskite Type ◽  
Modulation Wave Vector ◽  
Perovskite Type Structure

The incommensurately modulated structure of Sr_{2}Nb_{2}O_{7} at room temperature is reported, as determined by single-crystal X-ray diffraction. The crystal structure of Sr_{2}Nb_{2}O_{7} comprises slabs with a perovskite-type structure that are separated by planes of additional O atoms. The driving force for the modulation is shown to be internal strain around the Sr atoms that lie at the interface between the slabs. At room temperature, Sr_{2}Nb_{2}O_{7} crystallizes in the superspace group Cmc2_{1}(\alpha00)0s0, with lattice parameters a = 3.9544\,(7), b = 26.767\,(6) and c = 5.6961\,(8) Å. The modulation wave vector is determined as {\bf q} = 0.488\,(3)\,{\bf a}^{*}. X-ray diffraction data were collected at a synchrotron using a CCD area detector. A total of 3626 unique main reflections and 1262 unique first-order satellites with I \,\gt \,3 \sigma (I\,) were obtained. Refinements using a single harmonic modulation wave converged at R = 0.057 (R = 0.051 for the main reflections and R = 0.121 for the satellite reflections). The modulated structure is interpreted in terms of rotations of NbO_{6} octahedra and displacements of the Sr atoms.

scholarly journals Получение, структура, диэлектрические и магнитные свойства керамики SrFe-=SUB=-2/3-=/SUB=-W-=SUB=-1/3-=/SUB=-O-=SUB=-3-=/SUB=-

2018 ◽  
Vol 60 (3) ◽  
pp. 510
Author(s):  
А.В. Павленко ◽  
А.В. Турик ◽  
Л.А. Шилкина ◽  
С.П. Кубрин ◽  
Ю.B. Русалев ◽  
...  
Keyword(s):  
Room Temperature ◽  
Single Phase ◽  
Solid Phase ◽  
Ceramic Technology ◽  
Tetragonal Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solid Phase Reactions ◽  
Perovskite Type ◽  
Perovskite Type Structure

AbstractPolycrystalline samples of SrFe_2/3W_1/3O_3 (SFWO) ceramic were obtained by solid-phase reactions with subsequent sintering using conventional ceramic technology. X-ray diffraction analysis showed that at room temperature, the SFWO ceramic is single-phase and has a perovskite-type structure with tetragonal symmetry and parameters a = 3.941(9) Å, c = 3.955(6) Å, and c/a = 1.0035. In studying the magnetic properties and the Mössbauer effect in SFWO ceramics, it is found that the material is a ferrimagnet, and the iron ions are only in the valence state of Fe^3+. It is suggested that in the temperature range of T = 150–210°C, a smeared phase transition from a cubic (paraelectric) phase to a tetragonal (ferroelectric) phase takes place in SFWO with decreasing temperature.

Tilting structures ininverseperovskites,M3TtO (M= Ca, Sr, Ba, Eu;Tt= Si, Ge, Sn, Pb)

2015 ◽  
Vol 71 (3) ◽  
pp. 300-312 ◽  
Author(s):  
Jürgen Nuss ◽  
Claus Mühle ◽  
Kyouhei Hayama ◽  
Vahideh Abdolazimi ◽  
Hidenori Takagi
Keyword(s):  
Phase Transitions ◽  
Room Temperature ◽  
Structural Changes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Temperature Range ◽  
Tolerance Factors ◽  
Multiple Twinning ◽  
Perovskite Type ◽  
Perovskite Type Structure

Single-crystal X-ray diffraction experiments were performed for a series ofinverseperovskites,M3TtO (M= Ca, Sr, Ba, Eu;Tt= tetrel element: Si, Ge, Sn, Pb) in the temperature range 500–50 K. ForTt= Sn, Pb, they crystallize as an `ideal' perovskite-type structure (Pm\bar 3m,cP5); however, all of them show distinct anisotropies of the displacement ellipsoids of theMatoms at room temperature. This behavior vanishes on cooling forM= Ca, Sr, Eu, and the structures can be regarded as `ideal' cubic perovskites at 50 K. The anisotropies of the displacement ellipsoids are much more enhanced in the case of the Ba compounds. Finally, their structures undergo a phase transition at ∼ 150 K. They change from cubic to orthorhombic (Ibmm,oI20) upon cooling, with slightly tilted OBa6octahedra, and bonding angles O—Ba—O ≃ 174° (100 K). For the larger Ba2+cations, the structural changes are in agreement with smaller tolerance factors (t) as defined by Goldschmidt. Similar structural behavior is observed for Ca3TtO. SmallerTt4−anions (Si, Ge) introduce reduced tolerance factors. Both compounds Ca3SiO and Ca3GeO with cubic structures at 500 K, change into orthorhombic (Ibmm) at room temperature. Whereby, Ca3SiO is the only representative within theM3TtO family where three polymorphs can be found within the temperature range 500–50 K: Pm\bar 3m–Ibmm–Pbnm. They show tiny differences in the tilting of the OCa6octahedra, expressed by O—Ca—O bond angles of 180° (500 K), ∼ 174° (295 K) and 170° (100 K). For largerM(Sr, Eu, Ba), together with smallerTt(Si, Ge) atoms, pronounced tilting of the OM6octahedra, and bonding angles of O—M—O ≃ 160° (295 K) are observed. They crystallize in theanti-GdFeO3type of structure (Pbnm,oP20), and no phase transitions occur between 500 and 50 K. The observed phase transitions are all accompanied by multiple twinning, in terms of pseudo-merohedry or reticular pseudo-merohedry.

scholarly journals Effects of Sintering Temperature on Structural and Electrical Properties of Fe3+ Doping PZT Ceramics

2020 ◽  
Vol 17 (2) ◽  
pp. 4-7
Author(s):  
Alina Iulia Dumitru ◽  
Florentina Clicinschi ◽  
Tudor-Gabriel Dumitru ◽  
Delia Patroi ◽  
Jana Pintea ◽  
...  
Keyword(s):  
Room Temperature ◽  
Sintering Temperature ◽  
Hysteresis Loops ◽  
X Ray Diffraction ◽  
Solid State Reaction Technique ◽  
Pzt Ceramics ◽  
X Ray ◽  
Structural And Electrical Properties ◽  
Perovskite Type ◽  
Perovskite Type Structure

AbstractThe influence of the sintering temperature on the structure and on the hysteresis loops of Fe3+ doped Pb(ZrxTi1-x)O3 system has been investigated. Three compositions have been selected in the following mode: one in rhombohedral region, one in MPB region and one in tetragonal region have been obtained by solid state reaction technique. Sintering has been carried out at 12000C and 12500C respectively. The nature of the phases has been investigated in detail using X-ray diffraction analysis (XRD). All the sintered samples reveal a perovskite type structure. The surfaces have been lapped and metalized in order to obtaine the hysteresis loops at room temperature. The results showed a similar behaviour with “hard” PZT ceramics.

Electron Microscope study of commensurate-incommensurate phase transition in BaZnGeO4

1990 ◽  
Vol 48 (4) ◽  
pp. 172-173
Author(s):  
Naoki Yamamoto ◽  
Makoto Kikuchi ◽  
Tooru Atake ◽  
Akihiro Hamano ◽  
Yasutoshi Saito
Keyword(s):  
Phase Transition ◽  
Electron Microscope Study ◽  
Room Temperature ◽  
Hexagonal Lattice ◽  
Ferroelectric Materials ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Periodic Arrays ◽  
Modulation Wave Vector

BaZnGeO4 undergoes many phase transitions from I to V phase. The highest temperature phase I has a BaAl2O4 type structure with a hexagonal lattice. Recent X-ray diffraction study showed that the incommensurate (IC) lattice modulation appears along the c axis in the III and IV phases with a period of about 4c, and a commensurate (C) phase with a modulated period of 4c exists between the III and IV phases in the narrow temperature region (—58°C to —47°C on cooling), called the III' phase. The modulations in the IC phases are considered displacive type, but the detailed structures have not been studied. It is also not clear whether the modulation changes into periodic arrays of discommensurations (DC’s) near the III-III' and IV-V phase transition temperature as found in the ferroelectric materials such as Rb2ZnCl4.At room temperature (III phase) satellite reflections were seen around the fundamental reflections in a diffraction pattern (Fig.1) and they aligned along a certain direction deviated from the c* direction, which indicates that the modulation wave vector q tilts from the c* axis. The tilt angle is about 2 degree at room temperature and depends on temperature.

Effects of Calcination Parameters on the Microstructure and Morphology of PZT Nanoparticles Prepared by Modified Sol–Gel Method

2012 ◽  
Vol 576 ◽  
pp. 326-329 ◽  
Author(s):  
Amid Shakeri ◽  
Hossein Abdizadeh ◽  
Mohammad Reza Golobostanfard
Keyword(s):  
Lead Zirconate Titanate ◽  
Sol Gel ◽  
Lead Zirconate ◽  
X Ray Diffraction ◽  
Gel Method ◽  
X Ray ◽  
Sol Gel Method ◽  
Treatment Conditions ◽  
Perovskite Type ◽  
Perovskite Type Structure

Lead zirconate titanate nanopowder Pb(Zr0.53Ti0.47)O3 (PZT) was prepared by modified sol-gel method with 1-propanol as solvent and acetylacetone as stabilizer. The microstructure and particle size measurements at different heat treatment conditions were characterized by field emission scanning electron microscopy and x-ray diffraction analysis. It was found that the PZT nanoparticles calcinated at 600 °C showed mean diameter of 75-125 nm with high crystallinity of perovskite-type structure.

Structure analysis of CaTi1−xSnxO3 (x = 0.0–1.0) solid solutions

2014 ◽  
Vol 29 (3) ◽  
pp. 254-259 ◽  
Author(s):  
Naoki Takani ◽  
Hisanori Yamane
Keyword(s):  
Solid State ◽  
Solid Solutions ◽  
Solid State Reaction ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns ◽  
Perovskite Type ◽  
Perovskite Type Structure

CaTi1−xSnxO3 (x = 0.0–1.0) solid solutions were prepared by solid-state reaction at 1450 °C. Rietveld refinement of their powder X-ray diffraction patterns revealed that all the solid solutions crystallized in orthorhombic cells with the perovskite-type structure, the space group Pbnm. The refined unit-cell parameters linearly increased with nominal tin contents x.

X-ray powder diffraction data for Mn4C

2019 ◽  
Vol 34 (2) ◽  
pp. 196-197
Author(s):  
Ping-Zhan Si ◽  
Jung Tae Lim ◽  
Jihoon Park ◽  
Chul-Jin Choi
Keyword(s):  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Perovskite Type ◽  
Perovskite Type Structure

We report on the X-ray diffraction data and unit-cell parameters of Mn4C, which has a cubic perovskite-type structure with a = 3.8726 Å and unit-cell volume V = 58.1 Å3. The measured lines were indexed and are consistent with the space group $ Pm { \bar {\it 3}} m$ (No. 221).

scholarly journals INTERACTION OF LANTHANE AND LUTETIUM AT TEMPERATURE 1500–1600°C

2020 ◽  
Vol 86 (3) ◽  
pp. 19-25
Author(s):  
Olga Chudinovych ◽  
Nataliya Zhdanyuk
Keyword(s):  
Systematic Study ◽  
Composition Range ◽  
Phase Relationship ◽  
X Ray Diffraction ◽  
X Ray ◽  
Heat Treated ◽  
Wide Range ◽  
Concentration Dependences ◽  
Perovskite Type ◽  
Perovskite Type Structure

Materials based on La2O3–Lu2O3 system are promising candidates for a wide range of applications, but the phase relationship has not been studied systematically previously. To address this challenge, the subsection of the phase diagram for 1500 and 1600 °C have been elucidated. The samples of different compositions have been prepared from nitrate acid solutions by evaporation, drying and heat treatment at 1100, 1500 and 1600 °C. The phase relations in the binary La2O3–Lu2O3 system at 1500 and 1600 °C were studied from the heat treated samples using X-ray diffraction analysis and scanning electron microscopy in the overall concentration range. The X–ray analysis of the samples was performed by powder method using DRON-3 at room temperature (CuKa radiation). It was established that in the binary La2O3–Lu2O3 system there exist fields of solid solutions based on hexagonal (A) modification of La2O3, cubic (C) modification of Lu2O3, and with perovskite–type structure of LaLuO3 (R) with rhombic distortions. The systematic study that covered whole composition range excluded formation of new phases. The systematic study that covered whole composition range excluded formation of new phases. The boundaries of mutual solubility and concentration dependences the lattice parameters for all phases have been determined. The solubility of Lu2O3 in the hexagonal А–lanthanum modification is ~ 9 mol. % at 1500 and 1600 °С. The solubility of La2O3 in the cubic C–Lu2O3 is ~ 4 mol. % at 1500 and 7 mol. % at 1600 °С.

scholarly journals Modulated structure of La2Co1.7 from neutron and X-ray diffraction data

2000 ◽  
Vol 56 (6) ◽  
pp. 959-971 ◽  
Author(s):  
Michal Dusek ◽  
Gervais Chapuis ◽  
Penelope Schobinger-Papamantellos ◽  
Clive Wilkinson ◽  
Vaclav Petricek ◽  
...  
Keyword(s):  
Room Temperature ◽  
Close Packing ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
Neutron Measurement ◽  
Modulated Structure ◽  
X Ray ◽  
Cell Parameters ◽  
Position Sensitive ◽  
Space Requirements

An La2Co1.7 crystal was investigated by single-crystal neutron and X-ray diffraction. The neutron measurement was performed with a Laue white-beam technique at 15 K and room temperature, using a large position-sensitive detector. The X-ray measurements were obtained at room temperature from a CCD detector. The average structure of La2Co1.7 is hexagonal with cell parameters a = 4.885 (1), c = 4.273 (2) Å and space group P63/mmc. The satellites are located at the vertices of small hexagons perpendicular to the c axis. The modulated crystal was indexed assuming a sixfold twinned 3 + 1 dimensional structure with q = (α, 0, γ). The structure was solved in the pseudoorthorhombic cell, with a = 8.461 (1), b = 4.885 (1), c = 4.273 (2) Å, in the superspace group C2/m(α, 0, γ). Owing to space requirements, the Co atoms cannot fit precisely into the octahedral sites of the La h.c.p. (hexagonal close packing). Instead, the Co atoms adopt a different periodicity, which is not commensurate with the periodicity of the La atoms. Two structure models have been refined in order to describe this behaviour, one using the sawtooth function for the positional modulation of cobalt and the other describing the structure as a composite system. The chemical composition calculated from the composite model is La2Co1.8 (1) with the estimated standard deviation arising from the variation of q for different samples. In both models lanthanum is incommensurately modulated, while the position of cobalt seems not to be affected by any relative periodic displacement.

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