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Cation Ordering (cation + ordering)
Selected AbstractsStudy of Cation Ordering in Ba(Yb1/2Ta1/2)O3 by X-Ray Diffraction and Raman SpectroscopyINTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY, Issue 5 2008Dibyaranjan Rout The complex perovskite Ba(Yb1/2Ta1/2)O3 has been prepared by the two-stage solid-state reaction method. Rietveld' refinement analysis indicates cubic perovskite phase with space group . The 1:1 cation ordering at the B-site is revealed by the presence of (111) superlattice reflection in the X-ray diffraction pattern and further evidenced by the presence of A1g and F2g vibrational modes in the Raman spectra. The dielectric constant is measured to be 29.1, the product of quality factor and resonant frequency (Q×f) is found to be 32,000 GHz and the temperature coefficient of resonant frequency (,f) is 135 (ppm/°C) in the temperature range 30,70°C. [source] Cation Ordering and Domain Boundaries in Ca[(Mg1/3Ta2/3)1,xTix]O3 Microwave Dielectric CeramicsJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 8 2008Mao Sen Fu Cation ordering and domain boundaries in perovskite Ca[(Mg1/3Ta2/3)1,xTix]O3 (x=0.1, 0.2, 0.3) microwave dielectric ceramics were investigated by high-resolution transmission electron microscopy (HRTEM) and Rietveld analysis. The variation of ordering structure with Ti substitution was revealed together with the formation mechanism of ordering domains. When x=0.1, the ceramics were composed of 1:2 and 1:1 ordered domains and a disordered matrix. The 1:2 cation ordering could still exist until x=0.2 but the 1:1 ordering disappeared. Neither 1:2 nor 1:1 cation ordering could exist at x=0.3. The space charge model was used to explain the cation ordering change from 1:2 to 1:1 and then to disorder. A comparison between the space charge model and random layer model was also conducted. HRTEM observations showed an antiphase boundary inclined to the (111)c plane with a projected displacement vector in the ,001,c direction and ferroelastic domain boundaries parallel to the ,100,c direction. [source] Cation Ordering and Dielectric Characteristics in Barium Zinc NiobateJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 2 2007Chun-Te Lee Barium zinc niobate (Ba(Zn1/3Nb2/3)O3) (BZN) complex perovskite has been reported to have special microwave dielectric properties with close relation of its ordered structure. This study investigated the effect of calcination on the evolution of ordered structure and on quality factor with Raman spectroscopy, X-ray diffractometry, and transmission electron microscopy. The results revealed that single calcination at a lower temperature inhibited the growth of the ordered domain during sintering. In contrast, the 1:2-ordered domain in double-calcined BZN powder grew significantly with a higher sintering temperature and a longer soaking time. It is attributed that double calcination caused a higher degree of 1:2 ordering and better homogeneity. At the same time, the quality factor of the sintered ceramic body was highly promoted when using double-calcined powder. A close relation of the quality factor with the size of ordered domain, the degree of 1:2 ordering, and the relative density of BZN ceramics was presented. [source] Cation Ordering and Electrical Properties of the Ruddlesden,Popper Gd2-2xSr1+2xCo2O7 Compounds (x = 0 and 0.10).CHEMINFORM, Issue 45 2007M. Sanchez-Andujar Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF. [source] Synthesis, Cation Ordering, and Magnetic Properties of the (Sb1-xPbx)2 (Mn1-ySby)O4 Solid Solutions with the Sb2MnO4 -Type Structure.CHEMINFORM, Issue 21 2005Artem M. Abakumov Abstract For Abstract see ChemInform Abstract in Full Text. [source] Structural Study of the Cation Ordering in the Ternary Oxide Ba8Ti3Nb4O24.CHEMINFORM, Issue 3 2003Nicolas Teneze Abstract For Abstract see ChemInform Abstract in Full Text. [source] Cation Ordering and Domain Boundaries in Ca[(Mg1/3Ta2/3)1,xTix]O3 Microwave Dielectric CeramicsJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 8 2008Mao Sen Fu Cation ordering and domain boundaries in perovskite Ca[(Mg1/3Ta2/3)1,xTix]O3 (x=0.1, 0.2, 0.3) microwave dielectric ceramics were investigated by high-resolution transmission electron microscopy (HRTEM) and Rietveld analysis. The variation of ordering structure with Ti substitution was revealed together with the formation mechanism of ordering domains. When x=0.1, the ceramics were composed of 1:2 and 1:1 ordered domains and a disordered matrix. The 1:2 cation ordering could still exist until x=0.2 but the 1:1 ordering disappeared. Neither 1:2 nor 1:1 cation ordering could exist at x=0.3. The space charge model was used to explain the cation ordering change from 1:2 to 1:1 and then to disorder. A comparison between the space charge model and random layer model was also conducted. HRTEM observations showed an antiphase boundary inclined to the (111)c plane with a projected displacement vector in the ,001,c direction and ferroelastic domain boundaries parallel to the ,100,c direction. [source] Cations Ordering in the New Layered Perovskite BaSrTa2O7.CHEMINFORM, Issue 17 2004Francoise Le Berre Abstract For Abstract see ChemInform Abstract in Full Text. [source] Study of Cation Ordering in Ba(Yb1/2Ta1/2)O3 by X-Ray Diffraction and Raman SpectroscopyINTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY, Issue 5 2008Dibyaranjan Rout The complex perovskite Ba(Yb1/2Ta1/2)O3 has been prepared by the two-stage solid-state reaction method. Rietveld' refinement analysis indicates cubic perovskite phase with space group . The 1:1 cation ordering at the B-site is revealed by the presence of (111) superlattice reflection in the X-ray diffraction pattern and further evidenced by the presence of A1g and F2g vibrational modes in the Raman spectra. The dielectric constant is measured to be 29.1, the product of quality factor and resonant frequency (Q×f) is found to be 32,000 GHz and the temperature coefficient of resonant frequency (,f) is 135 (ppm/°C) in the temperature range 30,70°C. [source] Different models for the polar nanodomain structure of PZN and other relaxor ferroelectricsJOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 3 2008T. R. Welberry Computer simulations have been carried out to test the recently proposed model for the nanodomain structure of relaxor ferroelectrics such as lead zinc niobate (PZN). In this recent model it was supposed that the polar nanodomains are three-dimensional, that the observed diffuse rods of scattering originate from the boundaries between domains and that the Pb displacements may be directed along , or . This is in marked contrast to a previously published model, which described the polar domains as thin plates with Pb displacements confined to the directions within the essentially two-dimensional domains. The present results confirm that and types of Pb displacement are viable possibilities, but the number of domain boundaries required to produce sufficiently strong diffuse rods of scattering means that individual domains cannot be described as three-dimensional and must still be relatively thin. The current work has been carried out with no direct involvement of the B -site cation ordering, which many workers assume is necessary to understand the formation of the polar nanodomains. While it may be true that the B -site cation distribution could provide an underlying perturbation field that might ultimately limit the extent of any polar domain, it is certainly not necessary to produce the observed scattering effects. [source] Cation Ordering and Domain Boundaries in Ca[(Mg1/3Ta2/3)1,xTix]O3 Microwave Dielectric CeramicsJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 8 2008Mao Sen Fu Cation ordering and domain boundaries in perovskite Ca[(Mg1/3Ta2/3)1,xTix]O3 (x=0.1, 0.2, 0.3) microwave dielectric ceramics were investigated by high-resolution transmission electron microscopy (HRTEM) and Rietveld analysis. The variation of ordering structure with Ti substitution was revealed together with the formation mechanism of ordering domains. When x=0.1, the ceramics were composed of 1:2 and 1:1 ordered domains and a disordered matrix. The 1:2 cation ordering could still exist until x=0.2 but the 1:1 ordering disappeared. Neither 1:2 nor 1:1 cation ordering could exist at x=0.3. The space charge model was used to explain the cation ordering change from 1:2 to 1:1 and then to disorder. A comparison between the space charge model and random layer model was also conducted. HRTEM observations showed an antiphase boundary inclined to the (111)c plane with a projected displacement vector in the ,001,c direction and ferroelastic domain boundaries parallel to the ,100,c direction. [source] Octahedral tilting in Pb-based relaxor ferroelectrics at high pressureACTA CRYSTALLOGRAPHICA SECTION B, Issue 3 2010Bernd J. Maier We have employed a combination of powder neutron diffraction and single-crystal synchrotron X-ray diffraction to characterize the pressure-induced phase transitions that occur in the perovskite-type relaxor ferroelectric PbSc0.5Ta0.5O3 (PST) and Pb0.78Ba0.22Sc0.5Ta0.5O3 (PST-Ba). At ambient pressure the symmetry of the average structure for both compounds is as a result of partial ordering of the Sc and Ta cations on the octahedral sites. At pressures above the phase transition both the neutron and X-ray diffraction patterns exhibit an increase in the intensities of h,k,l = all odd reflections and no appearance of additional Bragg reflections. Synchrotron single-crystal X-ray diffraction data show that the intensity of hhh peaks, h,=,2n,+,1, does not change with pressure. This indicates that the structural distortion arising from the phase transition has a glide-plane pseudo-symmetry along the ,111, cubic directions. Rietveld refinement to the neutron powder data shows that the high-pressure phase has either or symmetry, depending on whether the presence of 1:1 octahedral cation ordering is neglected or taken into account, and comprises octahedral tilts of the type a,a,a, that continuously evolve with pressure. The cubic-to-rhombohedral transition is also marked by a large increase in the anisotropy of the displacement ellipsoids of the Pb cations, indicating larger displacements of Pb cations along the rhombohedral threefold axis rather than within the perpendicular plane. For PST the anisotropy of the Pb displacement parameters decreases at approximately 3,GPa above the phase-transition pressure. For both PST and PST-Ba the average magnitudes of Pb-cation displacements expressed in terms of isotropic displacement ellipsoids gradually decrease over the entire pressure range from ambient to 7.35,GPa. [source] Octahedral tilting in cation-ordered Jahn,Teller distorted perovskites , a group-theoretical analysisACTA CRYSTALLOGRAPHICA SECTION B, Issue 1 2010Christopher J. Howard Computer-based group-theoretical methods are used to enumerate structures arising in A2BB,X6 perovskites, with either rock-salt or checkerboard ordering of the B and B, cations, under the additional assumption that one of these two cations is Jahn,Teller active and thereby induces a distortion of the BX6 (or B,X6) octahedron. The requirement to match the pattern of Jahn,Teller distortions to the cation ordering implies that the corresponding irreducible representations should be associated with the same point in the Brillouin zone. Effects of BX6 (and B,X6) octahedral tilting are included in the usual way. Finally, an analysis is presented of more complex models of ordering and distortion as might lead to the doubling of the long axis of the common Pnma perovskite, observed in systems such as Pr1,,,xCaxMnO3 (x, 0.5). The structural hierarchies derived in this work should prove useful in interpreting experimental results. [source] Structural derivation and crystal chemistry of apatitesACTA CRYSTALLOGRAPHICA SECTION B, Issue 1 2003T. J. White The crystal structures of the [A(1)2][A(2)3](BO4)3X apatites and the related compounds [A(1)2][A(2)3](BO5)3X and [A(1)2][A(2)3](BO3)3X are collated and reviewed. The structural aristotype for this family is Mn5Si3 (D88 type, P63/mcm symmetry), whose cation array approximates that of all derivatives and from which related structures arise through the systematic insertion of anions into tetrahedral, triangular or linear interstices. The construction of a hierarchy of space-groups leads to three apatite families whose high-symmetry members are P63/m, Cmcm and P63cm. Alternatively, systematic crystallographic changes in apatite solid-solution series may be practically described as deviations from regular anion nets, with particular focus on the O(1),A(1),O(2) twist angle , projected on (001) of the A(1)O6 metaprism. For apatites that contain the same A cation, it is shown that , decreases linearly as a function of increasing average ionic radius of the formula unit. Large deviations from this simple relationship may indicate departures from P63/m symmetry or cation ordering. The inclusion of A(1)O6 metaprisms in structure drawings is useful for comparing apatites and condensed-apatites such as Sr5(BO3)3Br. The most common symmetry for the 74 chemically distinct [A(1)2][A(2)3](BO4)3X apatites that were surveyed was P63/m (57%), with progressively more complex chemistries adopting P63 (21%), P (9%), P (4.3%), P21/m (4.3%) and P21 (4.3%). In chemically complex apatites, charge balance is usually maintained through charge-coupled cation substitutions, or through appropriate mixing of monovalent and divalent X anions or X -site vacancies. More rarely, charge compensation is achieved through insertion/removal of oxygen to produce BO5 square pyramidal units (as in ReO5) or BO3 triangular coordination (as in AsO3). Polysomatism arises through the ordered filling of [001] BO4 tetrahedral strings to generate the apatite,nasonite family of structures. [source] La(Ni2/3Nb1/3)O3 by neutron powder diffractionACTA CRYSTALLOGRAPHICA SECTION C, Issue 4 2009Julian R. Tolchard Lanthanum nickel niobium trioxide has been synthesized and its structure refined for the first time. It was found to be a member of the family of technologically important `double perovskites', crystallizing in the monoclinic space group P21/n. The structure is characterized by a strong orthorhombic pseudosymmetry and a concurrent exhibition of both 1:1 B -cation ordering and a,a,c+ -type tilting of the (Ni/Nb)O6 structural units. Trivalent lanthanum resides on the perovskite A site, which is strongly distorted owing to the tilting of the (Ni/Nb)O6 sublattice. Ordering of divalent nickel and pentavalent niobium on the B sublattice is described in terms of two twofold special positions (2c and 2d), with nickel taking almost complete occupancy of the 2d site and the 2c position being occupied by a statistical distribution of nickel and niobium. [source] | |||||||||||||