• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.17 no.7
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• pp.718-723
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• 2004

Crystal structure of $(Ba-{1-x}La_x)[Mg_\frac{1+x}{3}}Nb_\frac{{2-x}{3}}]O_3$ (BLMN) ceramics with 0\leq1x \geq was investigated using synchrotron X-ray powder diffraction (XRD) and high reso(B $a_{l-x}$L $a_{x}$)[M $g_{(1+x)}$3/N $b_{(2-x)/3}$］ $O_3$lution transmission electron microscopy (HRTEM). When the La content, x, is above 0.1, the 1:2 ordered hexagonal structure found in Ba($Mg_\frac{1}{3}Nb_\frac{2}{3}})O_3$(BMN) was transformed into 1:1 ordered cubic structure. The 1:1 ordered cubic structure was maintained up to x=0.7. When x exceeded 0.7, however, BLMN was transformed into 1:1 ordered structure which has cation displacement and in-phase and anti-phase tilt of octahedra.

• Proceedings of the Korea Contents Association Conference
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• 2004.05a
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• pp.529-534
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• 2004

KISTI has intended to provide domestic researchers of chemistry and materials with the Inorganic Crystal Structure Database free of charge. Therefore, we construct the database and develop new web-based information searching system with the use of the ICSD data licensed by the FIZ Karlsruhe, Germany. We organize several menus possible to search the structure of crystal in a variety of ways on the web and the search results show not only numerical data of the structure of crystal but also the graphic of X-ray diffraction pattern and the 3-dimension structure of crystal. The data will be updated continuously and the searching system will be improved in order to provide researchers with information easily and swiftly.

• Bulletin of the Korean Chemical Society
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• v.16 no.3
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• pp.248-251
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• 1995

The crystal structure of Ba46-X, Ba46Al92Si100O384 [a= 25.297(1) Å], has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd&bar{3}at 21(1) ℃. The crystal was prepared by ion exchange in flowing stream of 0.05 M Ba(OH)2 aqueous solution for 5 days. The crystal was then dehydrated at 380 ℃ and 2 × 10-6 Torr for 2 days. The structure was refined to the final error indices R1= 0.051 and Rw= 0.054 with 369 reflections for which I > 3σ(I). In this structure, all Ba2+ ions are located at the three different crystallographic sites: fourteen Ba2+ ions are located at site Ⅰ, the centers of the double six rings, two Ba2+ ions lie at site Ⅰ', in the sodalite cavity opposite double six rings(D6R's) and another thirty Ba2+ ions are located at site Ⅱ in the supercage. Two Ba2+ ions are recessed ca. 0.27 Å into the sodalite cavity from their three O(3) oxygen plane and thirty Ba2+ ions are recessed ca. 1.11 Å into the supercage from their three O(2) oxygen planes, respectively (Ba(1)-O(3) = 2.76(1) Å, O(3)-Ba(1)-O(3) = 180(0)°, Ba(2)-O(3) = 2.45(1) Å, O(3)-Ba(2)-O(3) = 108(1)°, Ba(3)-O(2)=2.65(1) Å, and O(2)-Ba(3)-O(2)=103.9(4)°).

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.07a
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• pp.263-266
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• 2004

The stochiometric mix of evaporating materials for the $ZnGa_2Se_4$ single crystal thin films were prepared from horizental furnace. The polycrystal structure obtaind from the power x-ray diffraction was defect chalcopyrite. The lattice costants $a_0\;and\;c_0\;were\;a_0=5.51\;A,\;c_0=10.98\;A$. To obtains the single crystal thin films, $ZnGa_2Se_4$ mixed crystal were deposited on throughly etched Si(100) by the Hot Wall Epitaxy (HWE) system. The temperates of the source and the substrate were $590^{\circ}C\;and\;450^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the double crystal X-ray diffraction(DCXD). Hall effect on this sample was measured by the method of van der Pauw and studied on carrier density and mobility dependence on temperature. In order to explore the applicability as a photoconductive cell, we measured the sensitivity($\gamma$), the ratio of photocurrent to dark current(pc/dc), maximum allowable rower dissipation(MAPD), spectral response and response time.

• Journal of the Korean Chemical Society
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• v.63 no.1
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• pp.29-36
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• 2019

A potentially tetradentate Schiff base ligand, 2-((2-((pyridin-2-ylmethylene)amino)ethyl)amino)ethan-1-ol (PMAE), and its cadmium(II) complex, [$Cd(PMAE)I_2$] (1), were prepared and characterized by elemental analysis, FT-IR, Raman, $^1H$ and $^{13}C$ NMR spectroscopies and single-crystal X-ray diffraction. In the crystal structure of 1, the cadmium atom has a slightly distorted square-pyramidal geometry and a $CdN_3I_2$ environment in which the PMAE acts as an $N_3$-donor. In the crystal packing of the complex, the alcohol and amine groups of the coordinated ligands participate in hydrogen bonding with iodide ions and form $R^2{_2}(14)$ and $R^2{_2}(8)$ hydrogen bond motifs, respectively. In addition to the hydrogen bonds, the crystal network is stabilized by ${\pi}-{\pi}$ stacking interactions between pyridine rings. The thermodynamic stability of the isolated ligand and its cadmium complex along with their charge distribution patterns were studied by DFT and NBO analysis.

• Analytical Science and Technology
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• v.16 no.5
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• pp.375-390
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• 2003

A single crystal of fully indium-exchanged zeolite A (In-A) was brought into contact with antimony in a fine Pyrex capillary at $350^{\circ}C$ for 6 days. The reaction was monitored by electron-probe X-ray microanalysis (EPXMA). The crystal structure of antimony-sorbed indium-exchanged zeolite A has been determined by single-crystal X-ray diffraction techniques at $21^{\circ}C$ in the cubic space group Pm ${\bar{3}}m$. The crystal structure of $In_8Si_{12}Al_{12}O_{48}{\cdot}(In)_{1.35}(Sb)_{0.7}$ ($a=12.111(2){{\AA}}$, $R_1=0.071$, and $R_2=0.067$) has 8 indium cations, 1.35 indium atoms, and 0.7 antimony atoms per unit cell. Unit cell 1 ($In_8-A{\cdot}In$, 65% of unit cells) contain the $(In_5)^{8+}$ cluster. In unit cell 2 ($In_8-A{\cdot}(In)_2(Sb)_2$, 35% of unit cells), two $(In_3)^{2+}$ cluster and one $(In_3Sb_2)^{7+}$ cluster are found in the large cavity.

• Journal of the Korean Vacuum Society
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• v.12 no.4
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• pp.275-280
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• 2003

Epitaxial Gd$_2O_3:Eu^{3+}$luminescent thin films have been grout on Si(III) substrates using ionized Cluster Beam Deposition (ICBD). After the film growing, they were implanted and post annealed to change the crystal structure. The initial growth stage was monitored by using in-situ Reflection High Energy Electron Diffraction (RHEED). The formed crystal structure was identified with X-ray diffraction (XRD) technique and Fourier transform infrared (FT-R) spectroscopy. The electronic states variations were investigated by Near Edge X-ray Absorption Fine Structure (NEXAFS). Photoluminescence (PL), Cathodoluminescence (CL). and Vacuum ultraviolet (VUV) spectrum were used for examining the optical properties. We report the optical property changes depending on crystal structure and the electronic states.

• Korean Journal of Crystallography
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• v.1 no.2
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• pp.115-125
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• 1990

We have investigated bulk and hetero-epitaxial growth of GaAs single crystal. Various growth techniques such as HB, HZM, and VGF for high quality bulk GaAs were successfully developed by appling the specially designed DM(direct monitoring) furnace. Al GaAs/GaAs superlattice structure and In(x)Ga(1-x) As/GaAs epilayers were also grown by MOCVD and VPE, respectively. The characterization of GaAs single crystals and epilayers was made by X-ray diffraction, Hall effect, PL, chemical etching and angle lapping technique.

• Archives of Pharmacal Research
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• v.16 no.2
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• pp.134-139
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• 1993

The molecular structure of acemetacin, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid carboxymethyl ester, was determined by single cystal X-ray diffraction analysis. The compound was recrystallized from a mixture of acetone and water in triclinic, space group P1, with a=7.796(1), b=10.245(2), c=13.542(3)$\AA,\;\alpha=97.35(1),\;\beta=96.34(1),\;\gamma=107.06(1)^\circ$, and Z=2. The calculated density is 1.422; the observed value is $1.42\;g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0,037 for 2960 independent reflections. There are water molecules, which are thought to be co-crystallized during the evaporation procedure, with the ratio of one water per compound molecule in the crystal. The conformation of the compound is found to be very similar to that of indomethacin. The molecules are stabilized by three O-H.....O type intermolecular hydrogen bonds between the oxygen of water molecule and those of the compound.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.18 no.2
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• pp.62-67
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• 2008

An Organometallic compound, $C_{12}H_{20}B_{10}S_2Co_2$, was synthesized from o-carborane, $Cp^*Co(S_2B_2B_{10}H_{10})$ and $BH_3{\cdot}THF$. The molecular structure of this complex has been determined by X-ray diffraction. Crystallographic data: monoclinic, space group Cc, a=15.981(4) ${\AA}$, b=15.478(17) ${\AA}$, c=12.0562(17) ${\AA}$, ${\beta}=115.063(16)^{\circ}$, Z=4, V=9683(4) ${\AA}^3$. The structure was solved by direct methods and refined by full-matrix leat-squares methods to give a model with a reliability factor R = 0.0630 for 9948 reflections.