• Title/Summary/Keyword: Crystal structure and symmetry

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A Study on the Ferroelastic Domain Structure and Domain Walls (강탄성 구역구조 및 구역벽에 관한 연구)

  • 정희태;정세영
    • Korean Journal of Crystallography
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    • v.11 no.1
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    • pp.34-41
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    • 2000
  • The group-theoretical approach analyzing the domain structure and the domain wall orientations of the ferroelastic crystal was introduced. These theoretical results were investigated by comparing them with the experimental results of several ferroelastic crystals, CsPbCl₃, Pb₃(PO₄)₂, and LiCsSO₄, which were grown by the Czochralski and solution methods, respectively. both results were agreed well and also consistent with those of previous works such s the strain method and the geometrical consideration. The group-theoretical approach showed that the ferroelastic domain walls must be the crystallographical prominent planes with fixed indices and classified by the symmetry elements characterizing the permissible domain walls. So the group-theoretical approach could be suggested as a new method for analyzing the structure of the ferroelastic domain and domain walls.

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A Novel LC Device Associated with Optically Compensated Splay Structure (광학적 자기 보상 스플레이 구조를 갖는 새로운 액정 소자)

  • 김승재;이종문;이승희
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.17 no.5
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    • pp.536-540
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    • 2004
  • A novel nematic liquid crystal (LC) cell with splay structure exhibiting wide viewing angle, fast response time and high transmittance at the same time has been developed. With rubbed homeotropic alignment in parallel directions, the device shows bend alignment in the absence of vertical electric field. However, with applied high voltage in a pulse form, the LC shows a optically compensated splay (OCS) orientation such that the mid-director is parallel to a substrate and at both surfaces the LCs are aligned vertically in parallel direction. In the device, the birefringence of the cell becomes tunable with applying voltage, i.e., the amount of light passed through the cell can be controlled by controlling the orientation of the LC. Since the OCS cell has a self-compensation structure such that the LC has a mirror symmetry along the mid-director, the device shows a wide viewing angle with only a single domain and a fast response time.

The Crystal and Molecular Struture of Cholesteryl Isobutyrate

  • Kim, Mi-Hye;Park, Young-Ja;Ahn, Choong-Tai
    • Bulletin of the Korean Chemical Society
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    • v.10 no.2
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    • pp.177-184
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    • 1989
  • The structure of cholesteryl isobutyrate, $(CH_3)_2CHCOOC_{27}H_{45}$, was determined by single crystal X-ray diffraction methods. Cholesteryl isobutyrate crystallized monoclinic space group $P2_1$, with a = 15.115 (8)${\AA}$, b = 9.636 (5)${\AA}$, c = 20.224 (9)${\AA}$, ${\beta}$ = 93.15 (5)$^{\circ}$, z = 4, $D_c = 1.03 g/cm^3 $and Dm= 1.04 g/$cm^3$. The intensity data were measured for the 3417 reflections, within $sin{\theta}/{\lambda} = 0.59{\AA}^{-1}$, using an automatic four-circle diffractometer and graphite monochromated Mo-$K_{\alpha}$ radiation. The structure was solved by fragment search Patterson methods and direct methods and refined by full-matrix least-squares methods. The final R factor was 0.129 for 2984 observed reflections. The two symmetry-independent molecules (A) and (B) are almost fully extended. The molecules are in antiparallel array forming monolayers with thickness $d_{100}$ = 15.2${\AA}$, and molecular long axes are nearly parallel to the [$\bar{1}$01] directions. The two distinct molecules form separate stacks with almost the same orientations, but with differing degrees of steroid overlap. Thers is a close packing of cholesteryl groups within the monolayers. The packing type is similar to those of cholesteryl hexanoate and cholesteryl oleate.

Exploration of structural, thermal and spectroscopic properties of self-activated sulfate Eu2(SO4)3 with isolated SO4 groups

  • Denisenko, Yu.G.;Aleksandrovsky, A.S.;Atuchin, V.V.;Krylov, A.S.;Molokeev, M.S.;Oreshonkov, A.S.;Shestakov, N.P.;Andreev, O.V.
    • Journal of Industrial and Engineering Chemistry
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    • v.68
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    • pp.109-116
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    • 2018
  • $Eu_2(SO_4)_3$ was synthesized by chemical precipitation method and the crystal structure was determined by Rietveld analysis. The compound crystallizes in monoclinic space group C2/c. In the air environment, $Eu_2(SO_4)_3$ is stable up to $670^{\circ}C$. The sample of $Eu_2(SO_4)_3$ was examined by Raman, Fourier-transform infrared absorption and luminescence spectroscopy methods. The low site symmetry of $SO_4$ tetrahedra results in the appearance of the IR inactive ${\nu}_1$ mode around $1000cm^{-1}$ and ${\nu}_2$ modes below $500cm^{-1}$. The band intensities redistribution in the luminescent spectra of $Eu^{3+}$ ions is analyzed in terms of the peculiarities of its local environment.

Crystal Structures and Luminescence Properties of [Ln(NTA)2·H2O]3- Complexes (Ln = Sm3+, Eu+3, Gd3+, Tb3+, Ho3+, and NTA = Nitrilotriacetate)

  • Kang, Jun-Gill;Kang, Hee-Jung;Jung, Jae-Sun;Yun, Sock-Sung;Kim, Chong-Hyeak
    • Bulletin of the Korean Chemical Society
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    • v.25 no.6
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    • pp.852-858
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    • 2004
  • Crystal structures of lanthanide complexes with NTA (NTA = nitrilotriacetate) are reported. The complexes of $[Ln(NTA)_2{\cdot}H_2O]^{3-}$ (Ln = Sm, Eu, Gd, Tb and Ho) crystallize in the orthorhombic space group Pccn. In the structures, the trivalent lanthanide ions are completely encapsulated via coordination to the two nitrogen atoms and the six carboxylate oxygen atoms of the two NTA ligands, and one water oxygen atoms. The complexes form a slightly distorted capped-square-antiprism polyhedron. Of the complexes, $[Eu(NTA)_2{\codt}H_2O]^{3-}$,\;[Tb(NTA)_2{\cdot}H_2O]^{3-}\;and\;[Dy(NTA)_2{\cdot}H_2O]^{3-}$ excited at the 325 He-Cd line produce very characteristic luminescence features, arising mostly from the f ${\to}$ f transitions. The absolute quantum yields of these complexes are determined at room temperature. Surprisingly, the $[Dy(NTA)_2{\cdot}H_2O]^{3-}$ complex is more luminescent than the $[Eu(NTA)_2{\cdot}H_2O]^{3-}\;and\;[Tb(NTA)_2{\cdot}H_2O]^{3-}$ complexes.

Spectral and Geometrical Study of Two Cadmium Complexes, mer-R,S-[Cd(aepn)2]X2 (X: I-, Cl-, aepn: N-(2-Aminoethyl)-1,3-propanediamine) Supported by Solution Experiments

  • Hakimi, Mohammad;Mardani, Zahra;Moeini, Keyvan
    • Journal of the Korean Chemical Society
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    • v.57 no.4
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    • pp.447-454
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    • 2013
  • In this research, two new complexes of N-(2-aminoethyl)-1,3-propanediamine (aepn), $[Cd(aepn)_2]I_2$ (1) and $[Cd(aepn)_2]Cl_2{\cdots}H_2O$ (2), were prepared and identified by elemental analysis, FT-IR, Raman spectroscopy and single-crystal X-ray diffraction. Geometry around the cadmium atom in two complexes by coordination of six nitrogen atoms of two aepn is distorted octahedral. If distortion in the mer-$[Cd(aepn)_2]^{2+}$ cation is disregarded, it has a $C_2$ axis and $C_2$ symmetry. The cyclic voltammetry experiments were carried out to study the complexation process. Two structural surveys on coordination modes and complexes of aepn are presented. A study was carried out using CSD data to estimate the averages of bond lengths for different types of the Cd-N bonds. It was found that the intermolecular $N-H{\cdots}I$, $C-H{\cdots}I$ hydrogen bonds in 1 and $N-H{\cdots}Cl$, $N-H{\cdots}O$, $C-H{\cdots}O$, $O-H{\cdots}Cl$ in 2 stabilized the crystal networks.

Neutron Diffraction Study on the Crystal Structure of Yttria-Stabilized Zirconium Oxide (중성자회절법을 이용한 이트리아 저코니아의 결정구조 연구)

  • Jin-Ho Lee;Chang-Hee Lee;Won-Sa Kim
    • Journal of the Mineralogical Society of Korea
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    • v.13 no.3
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    • pp.164-170
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    • 2000
  • Neutron single crystal and powder diffraction techniques have been applied to the structure analysis of yttria-stabilized zirconium, Z $r_{0.73}$ $Y_{0.27}$ $O_{1.87}$., prepared by the skull-melting method. The crystal structure has been determined to be cubic symmetry, space group Fm/equation omitted/ with a=5.155(2)$\AA$, V=136.99(5)$\AA$, Z=4, and R(F)=5.65%, $\omega$R(I)=10.57% for 70 integrated intensities of Bragg Peaks observed from single crystal of Z $r_{0.73}$ $Y_{0.27}$ $O_{1.87}$. The stabilizer atoms randomly occupy the zirconium sites and there are displacements of oxygen atoms with amplitudes of $\Delta$/a~0.033 and 0.11 along <110> and <100> directions from the ideal positions of the fluorite structure, respectively. There are no significant differences in crystallographic data between the single crystal and powder studies. Diffraction pattern after Rietveld refinement, using neutron powder data, has shown the evidence of a tetragonal impurity phase, or a slight tetragonal distortion.

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Variation of Electrical Properties by E-field Induced Phase Transition in PZN-PT Crystals (전계유기 상전이에 의한 PZN-PT 단결정의 전기적 특성변화)

  • 백동수;김영호;조봉희
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.14 no.11
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    • pp.892-897
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    • 2001
  • Variations of dielectric and piezoelectric properties and associated phase transformation of <001> -oriented rhombohedral 0.92Pb (Zn$\sub$1/3/Nb$\sub$2/3/)O$_3$-0.08PbTiO$_3$ single crystals were investigated. The longitudinal strain level was found to abruptly increase at 15 kV/cm, corresponding to that where an induced phase appears within a multidomain matrix. Drastic decreases in the dielectric constant, transverse coupling, and transverse piezoelectric coefficient associated with the E-field induced phase were the result of increased crystal anisotropy in PZN-PT crystals. By contrast, the thickness coupling increased from 53 % at 0 kV/cm to 64 % at 45 kV/cm, also associated with this phase transition under the E-field. The measured dielectric and piezflelectric properties found for the induced phase state were nearly identical to those of <001> poled tetragonal (1-x)PZN-xPT (x>0.1) crystals. Based on these results, it is evident that the symmetry of induced phase is tetragonal.

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Impacts of the calcination temperature on the structural and radiation shielding properties of the NASICON compound synthesized from zircon minerals

  • Islam G. Alhindawy;Hany Gamal;Aljawhara.H. Almuqrin;M.I. Sayyed;K.A. Mahmoud
    • Nuclear Engineering and Technology
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    • v.55 no.5
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    • pp.1885-1891
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    • 2023
  • The present work aims to fabricate Na1+xZr2SixP3-xO12 compound at various calcination temperatures based on the zircon mineral. The fabricated compound was calcinated at 250, 500, and 1000℃. The effect of calcination temperature on the structure, crystal phase, and radiation shielding properties was studied for the fabricated compound. The X-ray diffraction diffractometer demonstrates that, the monoclinic crystal phase appeared at a calcination temperature of 250℃ and 500℃ is totally transformed to a high-symmetry hexagonal crystal phase under a calcination temperature of 1000℃. The radiation shielding capacity was also qualified for the fabricated compounds using the Monte Carlo N-Particle transport code in the g-photons energy interval between 15keV and 122keV. The impacts of calcination temperature on the g-ray shielding behavior were clarified in the present study, where the linear attenuation coefficient was enhanced by 218% at energy of 122keV, when the calcination temperature increased from 250 to 1000℃, respectively.

"KALEIDOSCOPIC" TOPOCHEMICAL PHOTOPOLYMERIZATION BEHAVIOR OF DIOLEFIN COMPOUNDS

  • Hasegawa, Masaki;Chung, Chan-Moon;Kinbara, Kazushi
    • Journal of Photoscience
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    • v.4 no.3
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    • pp.147-160
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    • 1997
  • INTRODUCTION : Various types of organic reactions in the crystalline state, so-called "topochemical reaction", have been reported in this century." Among the reactions, [2+2] photocycloaddition of diolefin crystals are one of the most intensively investigated examples. In the topochemical reaction in a pure sense, the space group symmetry is perfectly preserved throughout the reaction as were demonstrated by the crystalline-state photopolymerization of 2,5-distyrylpyrazine (2,5-DSP) and photodimerization of propyl $\alpha$-cyano-4-[2-(4-pyridyl) ethenyl]cinnamate. 2,5-DSP was initially prepared by Franke and in 1958 Koelsch and Gumprecht described briefly in their article of diazine-derivatives that it was found that the compound (2,5-DsP) was converted into a colorless insoluble polymer (\ulcorner) dec. 331~331$\circ$ when the solid was exposed for a few hours to ultraviolet light. Wright described in his book as if Koelsch and Gumprecht had investigated both the structure of the photoproduct and the crystal structure 2,5-DSP in detail. However, in the paper, they have not described any study on chemically correct analysis and crystallography of the resulting photoproduct at all. In 1967, one of present authors (M. H.) independently made the same observation as Franke that brilliant yellow crystal of 2,5-DSP was converted into powdery white substance under the sunlight in the course of a preparative study of pyrazine-2,5-dicarboxylic acid from 2,5-DSP. He investigated this phenomenon and concluded for the first time that a linear highmolecular-weight polymer crystal ([$\eta$] > 3.0 in $CF_3COOH$ solution) with recurring cyclobutane units in the main chain, had been produced from 2,5-DSP crystal by the action of sunlight.on of sunlight.

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