Crystal Structure of Dielectric Ceramics in the La(Mg0.5Ti0.5)O3–BaTiO3 System

2002 ◽  
Vol 17 (5) ◽  
pp. 1112-1117 ◽  
Author(s):  
M. Avdeev ◽  
M. P. Seabra ◽  
V. M. Ferreira
Keyword(s):  
Crystal Structure ◽  
Solid Solution ◽  
Structural Changes ◽  
Rietveld Method ◽  
Cation Ordering ◽  
Microwave Dielectric Ceramics ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Microwave Dielectric ◽  
Dielectric Ceramics

The crystal structure of microwave dielectric ceramics in the (1 − x)La(Mg0.5Ti0.5)O3 (LMT)–xBaTiO3 (BT) (0 ≤ x ≤ 0.9) system has been refined by Rietveld method using x-ray powder diffraction data. LMT and BT were found to form a solid solution in the whole compositional range. The increase of BaTiO3 content results in the following sequence of structure transformations of those solid solutions: P21/n (a−a−c+, B-site ordered) → Pbnm (a−a−c+) → I4/mcm (a0a0c−) → Pm3m (a0a0a0). These structural changes are related to the disappearance of B-site cation ordering (x > 0.1), in-phase tilting (x > 0.3), and antiphase tilting (x > 0.5), respectively.

Crystal structure of Cu doped La0.67Ca0.33MnO3 by Rietveld refinement

2004 ◽  
Vol 19 (4) ◽  
pp. 329-332
Author(s):  
H. L. Cai ◽  
X. S. Wu ◽  
F. Z. Wang ◽  
A. Hu ◽  
S. S. Jiang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structural Changes ◽  
Rietveld Method ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Orthorhombic System ◽  
X Ray

The crystal structure of La0.67Ca0.33Mn0.80Cu0.20O3 (LCMCO) compound was determined from laboratory X-ray powder diffraction data and refined by the Rietveld method. LCMCO is isostructural with La0.67Ca0.33MnO3 (LCMO). The crystal data are: La0.64Ca0.36Mn0.82Cu0.18O3.01, Mr=843.80, orthorhombic system, space group Pnma, a=5.4364(1) Å, b=7.6725(2) Å, c=5.4452(1) Å, V=227.124(8)Å3, Z=4, Dx=6.168 g∕cm3. In comparing with the Cu-free compound, subtle structural changes such as bond lengths and bond angles found in the Cu-doped compound may be responsible for the larger effects on the transport and magnetic properties when Cu partially substitutes for Mn in CMCO.

scholarly journals Revision of the structure of Cs2CuSi5O12 leucite as orthorhombic Pbca

2010 ◽  
Vol 66 (1) ◽  
pp. 51-59 ◽  
Author(s):  
A. M. T. Bell ◽  
K. S. Knight ◽  
C. M. B. Henderson ◽  
A. N. Fitch
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Rietveld Method ◽  
Neutron Powder Diffraction ◽  
Cation Ordering ◽  
Powder Diffraction Data ◽  
Acta Cryst ◽  
X Ray ◽  
Neutron Powder Diffraction Data ◽  
Leucite Structure

The crystal structure of a hydrothermally synthesized leucite analogue Cs2CuSi5O12 has been determined and refined using the Rietveld method from high-resolution synchrotron X-ray and neutron powder diffraction data. This structure is based on the topology and cation-ordering scheme of the Pbca leucite structure of Cs2CdSi5O12, and exhibits five ordered Si sites and one ordered Cu tetrahedrally coordinated (T) site. This structure for Cs2CuSi5O12 is topologically identical to other known leucite structures and is different from that originally proposed by Heinrich & Baerlocher [(1991), Acta Cryst. C47, 237–241] in the tetragonal space group P4_12_12. The crystal structure of a dry-synthesized leucite analogue Cs2CuSi5O12 has also been refined; this has the Ia\bar 3d cubic pollucite structure with disordered T sites.

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.

Crystallographic study of ternary ordered skutterudite IrGe1.5Se1.5

2010 ◽  
Vol 25 (3) ◽  
pp. 247-252 ◽  
Author(s):  
F. Laufek ◽  
J. Návrátil
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Crystallographic Data ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Crystallographic Study ◽  
Related Phase ◽  
The Ideal

The crystal structure of skutterudite-related phase IrGe1.5Se1.5 has been refined by the Rietveld method from laboratory X-ray powder diffraction data. Refined crystallographic data for IrGe1.5Se1.5 are a=12.0890(2) Å, c=14.8796(3) Å, V=1883.23(6) Å3, space group R3 (No. 148), Z=24, and Dc=8.87 g/cm3. Its crystal structure can be derived from the ideal skutterudite structure (CoAs3), where Se and Ge atoms are ordered in layers perpendicular to the [111] direction of the original skutterudite cell. Weak distortions of the anion and cation sublattices were also observed.

Preparation, Performances and Reaction Process of NiZrNb2O8 Microwave Dielectric Ceramics

2018 ◽  
Vol 281 ◽  
pp. 591-597
Author(s):  
Meng Juan Wu ◽  
Ying Chun Zhang ◽  
Jun Dan Chen ◽  
Yun Zhang
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Solid State Reaction ◽  
Raw Materials ◽  
Sem Analysis ◽  
Reaction Process ◽  
Microwave Dielectric Ceramics ◽  
Microwave Dielectric ◽  
Potential Applications ◽  
Dielectric Ceramics

Microwave dielectric ceramics have great potential applications in the fields of modern communication technology. However, the effects of processing of solid reaction on the crystal structure and properties of NiZrNb2O8 has not been reported. In this paper, the NiZrNb2O8 ceramic was prepared using different raw materials. The solid state reaction process, crystal structure, and dielectric properties of the NiZrNb2O8 ceramics were investigated. The X-ray diffractometer (XRD) results showed that the solid state reaction of NiZrNb2O8 could be divided into two steps using NiO, ZrO2 and Nb2O6 as raw materials. Scanning electron microscope (SEM) analysis results showed that the surface of NiZrNb2O8 prepared from NiNb2O6 and ZrO2 was more compact. The optimal density of the samples reached 99.28% of the theoretical value. And the dielectric constant (εr), quality factor (Q×f), temperature coefficient of resonant (τf) reached 23.6, 37237 GHz, -7.796 ppm/°C, respectively.

Structure and Microwave Dielectric Properties of (Ca0.9375Sr0.0625)0.25 (Li0.5Sm0.5)0.75TiO3 Ceramics with B2O3-CuO Sintering Aids

2011 ◽  
Vol 284-286 ◽  
pp. 1442-1446
Author(s):  
Yue Ming Li ◽  
Zong Yang Shen ◽  
Zhu Mei Wang ◽  
Hua Zhang ◽  
Yan Hong ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dielectric Properties ◽  
Sintering Temperature ◽  
Microwave Dielectric Properties ◽  
Microwave Dielectric Ceramics ◽  
Sintering Aids ◽  
Oxide Mixture ◽  
High Permittivity ◽  
Microwave Dielectric ◽  
Dielectric Ceramics

The B2O3-CuO oxide mixture (abbreviated as BC) was selected to lower the sintering temperature of (Ca0.9375Sr0.0625)0.25(Li0.5Sm0.5)0.75TiO3 (abbreviated as CSLST) microwave dielectric ceramics by solid sate reaction technique. The effects of BC doping amounts on the crystal structure, microstructure and microwave dielectric properties of the ceramics were investigated. For the ceramic sample with the composition of CSLST + 5 wt% BC, its sintering temperature was reduced to 1000 °C as compared to 1200 °C for pure CSLST. In addition to the obtained good microwave dielectric properties as follows: εr = 80.4, Q×f = 1380 GHz, τf = -32.89 ×10-6/°C, this ceramic was a desirable high-permittivity microwave dielectric candidate for low-temperature cofired ceramic (LTCC) applications.

Powder diffraction data of two tricydic diazonia diiodide salts used in silver iodide solid electrolytes

1993 ◽  
Vol 8 (3) ◽  
pp. 175-179
Author(s):  
J. Estienne ◽  
O. Cerclier ◽  
J. J. Rosenberg
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Silver Iodide ◽  
Solid Electrolytes ◽  
Rietveld Method ◽  
Powder Diffraction Data ◽  
Organic Salts ◽  
X Ray ◽  
Structure Determinations

Indexed X-ray powder diffraction data are reported for two organic salts with carbon rings having two quaternary nitrogens: diazonia-6,9 dispiro [5.2.5.2] hexadecane and diazonia-6,9 dispiro [5.2.5.3] heptadecane diiodides. For these compounds, which give solid electrolytes when associated with AgI, powder diffraction diagrams calculated by the Rietveld method from single crystal structure determinations are presented and are compared to the experimental diffraction data.

A Rietveld tutorial—Mullite

2009 ◽  
Vol 24 (4) ◽  
pp. 351-361 ◽  
Author(s):  
James A. Kaduk
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Rietveld Method ◽  
Amorphous Material ◽  
Thought Processes ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Bulk Chemical ◽  
The Common ◽  
Variable Stoichiometry

The crystal structure of the mullite in a commercial material was refined by the Rietveld method using laboratory X-ray powder diffraction data. In this one refinement, most of the common challenges—including variable stoichiometry (partially occupied sites), multiple impurity phases, amorphous material, constraints, restraints, correlation, anisotropic profiles, microabsorption, and contamination during grinding—are encountered and the thought processes during the refinement are described step-by-step. Interpretation of the refinements includes bulk chemical analysis, chemical composition of the mullite, assessment of the geometry, bond valence sums, the displacement coefficients, crystallite size and microstrain, comparison to similar structures to assess chemical reasonableness, and the nature of the amorphous phase.

Cristobalite-Related Phases in the NaAlO2–NaAlSiO4 System. II. A Commensurately Modulated Cubic Structure

1998 ◽  
Vol 54 (5) ◽  
pp. 547-557 ◽  
Author(s):  
R. L. Withers ◽  
J. G. Thompson ◽  
A. Melnitchenko ◽  
S. R. Palethorpe
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Powder Diffraction Data ◽  
Tetrahedral Framework ◽  
X Ray ◽  
Sodium Aluminosilicate ◽  
Vacancy Ordering ◽  
Cubic Structure

The crystal structure of a new cubic cristobalite-related sodium aluminosilicate Na1.45Al1.45Si0.55O4 [P213, a = 14.553 (1) Å] has been modelled using a modulation wave approach and the model tested against X-ray powder diffraction data using the Rietveld method. Owing to there being 64 independent positional parameters and eight independent Na sites, refinement of the tetrahedral framework atom positions and Na occupancies was not possible. The framework was modelled successfully in terms of q 1 = 1\over 4〈020〉_p^*-type (p = parent) modulation waves with the requirement that the MO4 (M = Al0.725Si0.275) tetrahedra be as close to regular as possible. Na/vacancy ordering was modelled successfully in terms of q 2 = 1\over 4〈220〉_p^* modulation waves. Only the Na-atom positions were refined. The significance of this unique modulated cubic cristobalite-related structure and the possible insight it provides to understanding β-cristobalite are discussed.

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