Electron diffraction study of the space group of Bi5Ti3FeO15 multiferroic ceramic

2020 ◽  
Vol 76 (5) ◽  
pp. 454-457
Author(s):  
Ying Zheng ◽  
Xinyan Wu ◽  
Yongcheng Zhang ◽  
Weiquan Shao ◽  
Wanneng Ye
Keyword(s):  
Electron Diffraction ◽  
Room Temperature ◽  
Electron Diffraction Study ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Space Groups ◽  
Phase Compound ◽  
First Time

Bi5Ti3FeO15 (pentabismuth trititanium iron pentadecaoxide), which is a multiferroic four-layer Aurivillius phase compound, has received much attention in recent years. However, three mutually inconsistent orthorhombic space groups, i.e. A21 am, Fmm2 and Pnn2, have been reported for the room-temperature phase of Bi5Ti3FeO15 by X-ray and neutron diffraction investigations. Here, electron diffraction results are presented and discussed for the first time to unambiguously clarify the room-temperature space group of ceramic Bi5Ti3FeO15. It has been found that all the observed reflections from the ceramic agree with those expected in A21 am, while the observed reflections 011, 013 and 015 should be forbidden in the case of Fmm2, and no 107 and 109 reflections were observed although allowed for Pnn2. The present study has demonstrated that the space group of Bi5Ti3FeO15 ceramic is A21 am rather than Fmm2 or Pnn2, an identification that proved to be a challenge for X-ray diffraction. On the basis of the space group A21 am, the lattice parameters of the Bi5Ti3FeO15 ceramic were calculated from its X-ray diffraction data.

Determination of crystal symmetry for Bi4Ti3O12-based ferroelectrics by using electron diffraction

2013 ◽  
Vol 46 (3) ◽  
pp. 798-800 ◽  
Author(s):  
Wanneng Ye ◽  
Chaojing Lu ◽  
Peng You ◽  
Kun Liang ◽  
Yichun Zhou
Keyword(s):  
Electron Diffraction ◽  
Room Temperature ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Space Groups ◽  
Electron Diffraction Technique ◽  
Convergent Beam

In recent years, inconsistent space groups of monoclinicB1a1 and orthorhombicB2cbhave been reported for the room-temperature ferroelectric phases of both Bi4Ti3O12and lanthanide-substituted Bi4Ti3O12. In this article, the electron diffraction technique is employed to unambiguously clarify the crystal symmetries of ferroelectric Bi4Ti3O12and Bi3.15Nd0.85Ti3O12single crystals at room temperature. All the reflections observed from the two crystals match well with those derived fromB1a1, but the observed reflections 010, 030, {\overline 2}10 and {\overline 2}30 should be forbidden in the case ofB2cb. This fact indicates that both the ferroelectrics are of the space groupB1a1 rather thanB2cb, which is confirmed by convergent-beam electron diffraction observations. On the basis of the monoclinic space groupB1a1, the lattice parameters of both the ferroelectrics were calculated by the Rietveld refinement of powder X-ray diffraction data.

The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C5H7N2)[FeIII(H2O)4(SO4)2]

2019 ◽  
Vol 75 (6) ◽  
pp. 1144-1151
Author(s):  
Tamara J. Bednarchuk ◽  
Wolfgang Hornfeck ◽  
Vasyl Kinzhybalo ◽  
Zhengyang Zhou ◽  
Michal Dušek ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Single Crystal ◽  
Room Temperature ◽  
Variable Temperature ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Hybrid Compound ◽  
Space Group ◽  
X Ray

The organic–inorganic hybrid compound 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C5H7N2)[FeIII(H2O)4(SO4)2] (4apFeS), was obtained by slow evaporation of the solvent at room temperature and characterized by single-crystal X-ray diffraction in the temperature range from 290 to 80 K. Differential scanning calorimetry revealed that the title compound undergoes a sequence of three reversible phase transitions, which has been verified by variable-temperature X-ray diffraction analysis during cooling–heating cycles over the temperature ranges 290–100–290 K. In the room-temperature phase (I), space group C2/c, oxygen atoms from the closest Fe-atom environment (octahedral) were disordered over two equivalent positions around a twofold axis. Two intermediate phases (II), (III) were solved and refined as incommensurately modulated structures, employing the superspace formalism applied to single-crystal X-ray diffraction data. Both structures can be described in the (3+1)-dimensional monoclinic X2/c(α,0,γ)0s superspace group (where X is ½, ½, 0, ½) with modulation wavevectors q = (0.2943, 0, 0.5640) and q = (0.3366, 0, 0.5544) for phases (II) and (III), respectively. The completely ordered low-temperature phase (IV) was refined with the twinning model in the triclinic P{\overline 1} space group, revealing the existence of two domains. The dynamics of the disordered anionic substructure in the 4apFeS crystal seems to play an essential role in the phase transition mechanisms. The discrete organic moieties were found to be fully ordered even at room temperature.

Temperature dependence of the AV3O7 (A = Ca, Sr) structure

2007 ◽  
Vol 63 (6) ◽  
pp. 836-842 ◽  
Author(s):  
Sebastian Prinz ◽  
Karine M. Sparta ◽  
Georg Roth
Keyword(s):  
Single Crystal ◽  
Temperature Dependence ◽  
Crystal Structures ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Space Groups ◽  
Temperature Ranges ◽  
First Time

The V4+ (spin ½) oxovanadates AV3O7 (A = Ca, Sr) were synthesized and studied by means of single-crystal X-ray diffraction. The room-temperature structures of both compounds are orthorhombic and their respective space groups are Pnma and Pmmn. The previously assumed structure of SrV3O7 has been revised and the temperature dependence of both crystal structures in the temperature ranges 297–100 K and 315–100 K, respectively, is discussed for the first time.

A CBED Study of CuAgSS

1990 ◽  
Vol 48 (2) ◽  
pp. 484-485
Author(s):  
C.L. Baker ◽  
F.J. Lincoln ◽  
A.W.S. Johnson
Keyword(s):  
Room Temperature ◽  
Silver Ions ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Orthorhombic Unit Cell ◽  
X Ray ◽  
Space Groups ◽  
Hexagonal Close Packed ◽  
R Factor ◽  
Starting Model

The room temperature phase of the compound CuAgS occurs in nature as the mineral stromeyerite. Its structure is stable up to approximately 90°C, above this temperature it transforms to a cation disordered structure with copper and silver ions mobile through a hexagonal close packed sulphur lattice. The structure of stromeyerite has been investigated by single crystal X-ray diffraction and was found to have an orthorhombic unit cell with possible space groups Cmcm (63) or Cmc21 (36). The structure was refined in Cmcm but only to an R factor of 0.30. Refinement in Cmc21 was not attempted. The structure is important as a starting model for those of other phases in the system Cu-Ag-S and consequently more precise information was required.Synthetic CuAgS was prepared from the binary sulphides by solid state reaction in vacuo at 300°C for one week. It was then ground to a powder and annealed at 70°C in N2 for a month.

scholarly journals Structure of the quaternary alloy Zn0.6Mn0.4In2S4from synchrotron powder diffraction and electron transmission microscopy

2006 ◽  
Vol 39 (1) ◽  
pp. 1-5 ◽  
Author(s):  
Rosario Ávila-Godoy ◽  
Asiloé J. Mora ◽  
Dwight R. Acosta-Najarro ◽  
Gerzon E. Delgado ◽  
Santos A. López-Rivera ◽  
...  
Keyword(s):  
High Resolution ◽  
Electron Diffraction ◽  
Parent Compound ◽  
Quaternary Alloy ◽  
X Ray Diffraction ◽  
Transmission Microscopy ◽  
Space Group ◽  
X Ray ◽  
Space Groups ◽  
Synchrotron Powder Diffraction

The aim of the present work was to determine the structure of the quaternary alloy Zn0.6Mn0.4In2S4and to locate the Mn2+. This was accomplished by means of powder synchrotron X-ray diffraction, high-resolution microscopy and convergent-beam electron diffraction (CBED). The powder X-ray diffraction pattern was indexed in a rhombohedral cell, with cell constantsa= 3.875 (2),c= 37.208 (4) Å, and possible space groupsR\bar{3}morR3m. Rietveld refinements using different cationic arrangements in these space groups were performed. A model in space groupR3m, in which the tetrahedral and octahedral sites were occupied by different proportions of Zn, Mn and In atoms, gave the best result. The Rietveld refinement of this model led to figures of meritRwp= 9.8%,Rp= 9.1% and χ2= 11.1. Selected-area electron diffraction patterns and high-resolution transmission electron micrographs along [001] reveal the rhombohedral configuration. CBED patterns perpendicular to [001], showing the distinctive 3msymmetry, confirmed space groupR3mand the breaking of the centrosymmetry of the parent compound, ZnIn2S4.

Microstructure and crystal symmetry of Pb2Sr2(Y/Ca)Cu3O9−δ

1990 ◽  
Vol 48 (4) ◽  
pp. 64-65
Author(s):  
Y. P. Lin ◽  
J. S. Xue ◽  
J. E. Greedan
Keyword(s):  
Electron Diffraction ◽  
High Temperature Superconductors ◽  
Carbon Film ◽  
Basic Structure ◽  
Crystal Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Space Groups ◽  
New Family ◽  
Convergent Beam

A new family of high temperature superconductors based on Pb2Sr2YCu3O9−δ has recently been reported. One method of improving Tc has been to replace Y partially with Ca. Although the basic structure of this type of superconductors is known, the detailed structure is still unclear, and various space groups has been proposed. In our work, crystals of Pb2Sr2YCu3O9−δ with dimensions up to 1 × 1 × 0.25.mm and with Tc of 84 K have been grown and their superconducting properties described. The defects and crystal symmetry have been investigated using electron microscopy performed on crushed crystals supported on a holey carbon film.Electron diffraction confirmed x-ray diffraction results which showed that the crystals are primitive orthorhombic with a=0.5383, b=0.5423 and c=1.5765 nm. Convergent Beam Electron Diffraction (CBED) patterns for the and axes are shown in Figs. 1 and 2 respectively.

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.

CRYSTAL STRUCTURE OF ZIRCONIUM TRICHLORIDE

1964 ◽  
Vol 42 (10) ◽  
pp. 1886-1889 ◽  
Author(s):  
B. Swaroop ◽  
S. N. Flengas
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Main Cell ◽  
Diffraction Patterns

The crystal structure of zirconium trichloride was determined from X-ray diffraction patterns. Zirconium trichloride belongs to the [Formula: see text]space group. The dimensions of the main cell at room temperature are: a = 5.961 ± 0.005 Å and c = 9.669 ± 0.005 Å.The density of zirconium trichloride was measured and gave the value of 2.281 ± 0.075 g/cm3 while, from the X-ray calculations, the value was found to be 2.205 g/cm3.

scholarly journals Physical Stability and Viscoelastic Properties of Co-Amorphous Ezetimibe/Simvastatin System

2019 ◽  
Vol 12 (1) ◽  
pp. 40 ◽  
Author(s):  
Justyna Knapik-Kowalczuk ◽  
Krzysztof Chmiel ◽  
Karolina Jurkiewicz ◽  
Natália Correia ◽  
Wiesław Sawicki ◽  
...  
Keyword(s):  
Elevated Temperature ◽  
Viscoelastic Properties ◽  
Room Temperature ◽  
Physical Stability ◽  
Ternary Systems ◽  
Storage Conditions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Temperature Conditions ◽  
First Time

The purpose of this paper is to examine the physical stability as well as viscoelastic properties of the binary amorphous ezetimibe–simvastatin system. According to our knowledge, this is the first time that such an amorphous composition is prepared and investigated. The tendency toward re-crystallization of the amorphous ezetimibe–simvastatin system, at both standard storage and elevated temperature conditions, have been studied by means of X-ray diffraction (XRD). Our investigations have revealed that simvastatin remarkably improves the physical stability of ezetimibe, despite the fact that it works as a plasticizer. Pure amorphous ezetimibe, when stored at room temperature, begins to re-crystallize after 14 days after amorphization. On the other hand, the ezetimibe-simvastatin binary mixture (at the same storage conditions) is physically stable for at least 1 year. However, the devitrification of the binary amorphous composition was observed at elevated temperature conditions (T = 373 K). Therefore, we used a third compound to hinder the re-crystallization. Finally, both the physical stability as well as viscoelastic properties of the ternary systems containing different concentrations of the latter component have been thoroughly investigated.

Ein tricyclisches Tetraboradisiladodecan aus Dimethyl-di-1-propinylsilan und Ethyldiboranen(6) / A Tricyclic Tetraboradisiladodecane from Dimethyl-di-1-propynylsilane and Ethyldiboranes(6)

1995 ◽  
Vol 50 (3) ◽  
pp. 439-447 ◽  
Author(s):  
Roland Köster ◽  
Günter Seidel ◽  
Roland Boese ◽  
Bernd Wrackmeyer
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Structure Space ◽  
Thermal Elimination

The exhaustive hydroboration of the (C ≡ C )-groups in Me2Si(C ≡ CMe)2 (A ) by adding ethyldiboranes(6) at room temperature is presumed to lead initially to the formation of a mixture of the threo- and erythro-3,3,5,6-tetrakis(diethylboryl)-4,4-dimethyl-4-silaheptanes (1a , b). The threo-1a reacts further by borane catalysed intermolecular condensation to the substituted disilatetraboratricyclo[6.2.1.16.9]dodecane 2 with the formula , whose crystal structure [space group C2/c, a = 19.696(2), b = 10.371(1), c = 16.580(2) Å; β = 125.90(1)°; at 122 K] has been established by X -ray diffraction. In contrast, the erythro-1b undergoes intramolecular, thermal elimination of Et3B to give the 1,2-diethyl-2,4-bis(diethylboryl)- 3,3,5-trim ethyl-3-silaborolane (4). If A is added to an excess of undiluted B (“hydridebath”), then the two substituted diastereomers of the 1-carba-arachno-pentaboranes(10) (endo/exo-Et,SiH Me2) (3a, b), are formed preferentially as the result of an initial Si-C ≡-c le a v e d hydroboration.

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