• Title/Summary/Keyword: B20 crystal structure

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Crystal Structure Analysis of $LiN(D_xH_{1-x}){_4}SO_4$ by X-ray and Neutron Diffraction (X-선과 중성자 회절을 이용한 강유전체 단결정 $LiN(D_xH_{1-x}){_4}SO_4$의 결정구조 연구)

  • Kim, Shin-Ae;Kim, Seong-Hoon;So, Ji-Yong;Lee, Jeong-Soo;Lee, Chana-Hee
    • Journal of the Mineralogical Society of Korea
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    • v.20 no.4
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    • pp.351-356
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    • 2007
  • The crystal structure of $Li(ND_4)SO_4$ was analyzed by X-ray and neutron diffraction methods. The crystal is a deuterated $Li(NH_4)SO_4$ and one of the ferroelectric materials with hydrogen atoms. The crystal is orthorhombic at room temperature, $P2_1nb$, with lattice parameters of $a=5.2773(5)\;{\AA},\;b=9.1244(23)\;{\AA},\;c=8.7719(11)\;{\AA}$ and Z=4. Neutron intensity data were collected on the Four-Circle diffractometer (FCD) at HANARO in Korea Atomic Energy Research Institute and X-ray date were given by Prof. Y. Noda of Tohoku University Japan. The structure was refined by full-matrix least-square to final R value of 0.070 for 1450 observed reflections by X-ray diffraction and to final R=0.049 for 745 observed reflections by neutron diffraction. With X-ray data we obtained only one hydrogen atomic position. However, not only all atomic positions of four hydrogen atoms at $NH_4$ but also the occupation factors of D and H were refined with neutron data. From this results we obtained the average chemical structure of this sample, $LiND_{3.05}H_{0.95}SO_4$.

Oxide perovskite crystals type ABCO4:application and growth

  • Pajaczkowska, A.
    • Proceedings of the Korea Association of Crystal Growth Conference
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    • 1996.06a
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    • pp.258-292
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    • 1996
  • In the last year great interest appears to YBCO thin films preparation on different substrate materials. Preparation of epitaxial film is a very difficult problem. There are many requirements to substrate materials that must be fullfilled. Main problems are lattice mismatch (misfit) and similarity of structure. From paper [1] or follows that difference in interatomic distances and angles of substrate and film is mire important problem than similarity of structure. In this work we present interatomic distances and angle relations between substrate materials belonging to ABCO4 group (where A-Sr or Ca, B-rare earth element, C-Al or Ga) of different orientations and YBCO thin films. There are many materials used as substrates for HTsC thin films. ABCO4 group of compounds is characterized by small dielectric constants (it is necessary for microwave applications of HTsC films), absence of twins and small misfit [2]. There most interesting compounds CaNdAlO4, SrLaAlO4 and SrLaGaO4 were investigated. All these compounds are of pseudo-perovskite structure with space group 14/mmm. This structure is very similar to structure of YBCO. SLG substrate has the lowest misfit (0.3%) and dielectric constant. For preparation of then films of substrates of this group of compound plane of <100> orientation are mainly used. Good quality films of <001> orientations are obtained [3]. In this case not only a-a misfit play role, but c-3b misfit is very important too. Sometimes, for preparation of thin films substrates of <001> and <110> orientations were manufactured [3]. Different misfits for different YBCO faces have been analyzed. It has been found that the mismatching factor for (100) face is very similar to that for (001) face so there is possibility of preparation of thin films on both orientations. SrLaAlO4(SLA) and SrLaGaO4(SLG) crystals of general formula ABCO4 have been grown by the Czochralski method. The quality of SLA and SLG crystals strongly depends on axial gradient of temperature and growth and rotation rates. High quality crystals were obtained at axial gradient of temperature near crystal-melt interface lower than 50℃/cm, growth rate 1-3 mm/h and the rotation rate changing from 10-20pm[4]. Strong anisotropy in morphology of SLA and SLG single crystals grown by the Czochralski method is clearly visible. On the basics of our considerations for ABCO4 type of the tetragonal crystals there can appear {001}, {101}, and {110} faces for ionic type model [5]. Morphology of these crystals depend on ionic-covalent character of bonding and crystal growth parameters. Point defects are observed in crystals and they are reflected in color changes (colorless, yellow, green). Point defects are detected in directions perpendicular to oxide planes and are connected with instability of oxygen position in lattice. To investigate facets formations crystals were doped with Cr3+, Er3+, Pr3+, Ba2+. Chromium greater size ion which is substituted for Al3+ clearly induces faceting. There appear easy {110} faces and SLA crystals crack even then the amount of Cr is below 0.3at.% SLG single crystals are not so sensitive to the content of chromium ions. It was also found that if {110} face appears at the beginning of growth process the crystal changes its color on the plane {110} but it happens only on the shoulder part. The projection of {110} face has a great amount of oxygen positions which can be easy defected. Pure and doped SLA and SLG crystals measured by EPR in the<110> direction show more intensive lines than in other directions which allows to suggest that the amount of oxygen defects on the {110} plane is higher. In order to find the origin of colors and their relation with the crystal stability, a set of SLA and SLG crystals were investigated using optical spectroscopy. The colored samples exhibit an absorption band stretching from the UV absorption edge of the crystal, from about 240 nm to about 550 m. In the case of colorless sample, the absorption spectrum consists of a relatively weak band in the UV region. The spectral position and intensities of absorption bands of SLA are typical for imperfection similar to color centers which may be created in most of oxide crystals by UV and X-radiation. It is pointed out that crystal growth process of polycomponent oxide crystals by Czochralski method depends on the preparation of melt and its stoichiometry, orientation of seed, gradient of temperature at crystal-melt interface, parameters of growth (rotation and pulling rate) and control of red-ox atmosphere during seeding and growth (rotation and pulling rate) and control of red-ox atmosphere during seeding and growth. Growth parameters have an influence on the morphology of crystal-melt interface, type and concentration of defects.

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Structure and $Ca^{2+}$-ion effects on the function of $\alpha$-cyclodextrin Glucanotransferase from B. macerans : An X-ray study (Bacillus macerans에서 정제한 $\alpha$-cyclooextrin glucanotransferase의 구조와 칼슘이온이 기능에 미치는 영향 : X-ray 연구)

  • 최희욱;홍순강
    • KSBB Journal
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    • v.19 no.2
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    • pp.159-163
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    • 2004
  • The X-ray structure of the cydodextrin-glucanotransferase of Bacillus macerans was solved by molecular replacement at 2.0 ${\AA}$ resolution. The refined structure has a crystallographic R-factor of 16.6%, (R$\sub$free/ = 20.5%). A new metal binding site occupied by two Ca$\^$2+/-ions was found at an accession channel of the active site. There is a large accumulation of negative charges that bind these Ca$\^$2+/-ions, thereby connecting segment ${\beta}$13-${\alpha}$G (residue 254-276) to the main body of domain A (at ${\alpha}$H, residue 283-297). The segment 313-${\alpha}$G contains the catalytic residue Glu258 between subsite 1 and -1 and Tyr260 (subsite 2) which is located at the entrance of the active site. The Ca$\^$2+/-site 3a,b may have a major role for the activity and specificity of this CGTase, although it is not even conserved for the a-subclass of CGTases.

Chemistry of Ruthenium Hydridonitrosyl Complexes Containing Chelating Triphosphines I-Structures of RuH(NO)$P_3$ ($P_3$ : Chelating Triphosphines)

  • Ik Mo Lee;Devon W. Mee;Judith Gallucci
    • Bulletin of the Korean Chemical Society
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    • v.13 no.5
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    • pp.491-498
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    • 1992
  • Chelating triphosphines were applied to freeze the fluxionality and to minimize the number of isomers found in the monophosphine analogues and this technique was proved to be useful. RuH(NO)$P_3$($P_3$; Cyttp, ttp and etp) complexes were characterized to have similar trigonal bipyramidal structures with linear NO groups. Cyttp prefers to have a meridional geometry while etp prefers a facial one and ttp complexes are mixture of these two isomers. The crystal structure of RuH(NO)(Cyttp) has been determined to have a distorted trigonal bipyramidal structure with a linear NO in the equatorial plane. The crystals are orthorhombic, space group $P_{nma}$, with unit cell dimensions a = 16.356(2), b = 20.474(2), c = 10.915(l) ${\AA}$, V = 3655 ${\AA}^3$, Z = 4, R = 0.035 and $R_w$ = 0.034 for the 2900 intensities with $F_o^2 >3{\sigma}(F_o^2)$ and the 208 variables.

A Study on Fatigue strength by hardenability of Boron Addition Steel (보론 첨가강의 경화기구에 따른 기계적 성질에 관한 연구)

  • Lee, Jong-Hyung;Yoo, Duck-Sang;Park, Shin-Kyu
    • Journal of the Korean Society of Industry Convergence
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    • v.6 no.4
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    • pp.299-305
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    • 2003
  • This research is for the relationship with heat treatment cooling temprature and the characteristic of Mechanical properties of Boron-Addition-Steel, the main material and SM25C steel, the sub material, structure viewing fractography, hardness test, tensite test and are carried out after the manufacturing small-specimen treated with heat of $750^{\circ}C$, $850^{\circ}C$, $1050^{\circ}C$. The influence to the Mechanical properties accompanied by AISI51B20, Boron-Addition-steel shows the following result. 1. The influenc of heat treatment by the content of cabon-steel is dominant. Addition of boron result is Strengthening structure effectively by segregation and improving over all mechanical characters such as good. it results from the increase of temacity by the stability of inter granular with improvement of harden-ability. 2. Boron-Addition-Steel exist in the from of martensite structure accompanied by the ferrite precipitition centering around grain boundary, and is improved to Hv 200. 3. The height of harden-ability and fatigue stress the influence of heat results from crystal structure of martensite by difference of strength level in the structure of ferrite and doesn't have am effect on sensibility of temperature, and turns out to defend on production and growth of Matrix-structure-factor.

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Synthesis and Properties of Noel Platinum(IV) Complexes Involving Asymmetric Chiral Diamines as Carrier Ligands

  • 이은주;전무진;손윤수
    • Bulletin of the Korean Chemical Society
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    • v.20 no.11
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    • pp.1295-1298
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    • 1999
  • Novel platinum(IV) complexes with asymmetric chiral diamine ligands cis,cis,trans-A2PtCl2(X)2 (X = OH, OCOCH3, OCOC2H5, A2 =NH2CH(CH3)CH2NH(c-C6H11)(apcha), NH2CH(CH3)CH2NH(c-C5H9)(apcpa)) have been prepared. One of the platinum(IV) complexes, (apcpa)PtCl2(OCOC2H5)2(6), was subjected to X-ray crystallographic analysis. The crystal structure of (apcpa)PtCl2(OCOC2H5)2 (monoclinic, P21 (No. 4), a = 9.1391(1), b = 22.2517(1), c = 10.0687(1)Å, β= 109.105(1)。 , V = 1934.80(3)Å3 , Z = 4, R1 = 0.0532) exhibits that the platinum atom achieves a typical octahedral arrangement with two nitrogen atoms in cis positions and two carboxylato group in trans positions. The spectroscopic data disclose that these platinum(IV) complexes are stable and their molecular structures are retained in aqueous solution. The title complexes are highly cytotoxic in vitro but do not exhibit oral anticancer activity in vivo.

Characteristic of $LiNbO_3$ Domain Inversion and Fabrication of Electrooptic Device Application using Domain Reversal ($LiNbO_3$ 기판의 도메인 반전 특성과 이를 이용한 기능성 광변조기의 제작)

  • Jeong, W.J.;Kim, W.K.;Yang, W.S.;Lee, H.M.;Kwon, S.W.;Song, M.K.;Lee, H.Y.
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.44 no.3 s.357
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    • pp.20-25
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    • 2007
  • The periodic domain-inversion in the selective areas of $Ti:LiNbO_3$ Mach-Zender waveguides was performed and band-pass modulators and single sideband (SSB) modulators were fabricated by using domain-reversal. The domain wall velocity was precisely controlled by real-time analysis of a poling-induced response current under an applied voltage. The domain wall velocity was significantly affected by the crystal orientation of the domain wall propagation which influenced the final domain geometry. In a certain case, the decomposition of $LiNbO_3$ crystal was observed, for example, under the condition of too fast domain wall propagation. The fabricated band-pass modulator with a periodic domain-inversion structure showed the maximum modulation efficiency at 30.3 GHz with 5.1 GHz 3dB-bandwidth, and SSB modulator was measured to show 33 dB USB suppression over LSB at 5.8 GHz RF.

Influence on the Chemical Durability of $B_2O_3-SiO_2$ and $Al_2O_3-SiO_2$ Thin Films at the Addition of $P_2O_5$ ($P_2O_5$의 첨가가 $B_2O_3-SiO_2$$Al_2O_3-SiO_2$ 박막의 화학적내구성에 미치는 영향)

  • 황규석;김병훈;최석진
    • Journal of the Korean Ceramic Society
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    • v.30 no.8
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    • pp.615-622
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    • 1993
  • In order to increase chemical durability of thin films in binary system B2O3-SiO2 and Al2O3-SiO2 on the slide glass by the dip-coating technique from TEOS(Tetraethyl Orthosilicate) and boric acid or aluminum nitrate, phosphoric acid(5~20mol%) was added, respectively. Corrosion of acid and alkali of samples treated with 1N, HCl, NaOH and distilled water at 10$0^{\circ}C$ for 15 minute, were measured IR transmittance and variance of transmittance at visible range. Surface structure of thin film was investigated with SEM and formation of crystal phase according to additiion of phosphoric acid was measrued with XRD. In Al2O3-SiO2 system, change of remarkable characteristic was not obtained at the addition of P2O5 but transmittance of thin film was decreased with addition of P2O5 in B2O3-SiO2 system.

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Synthesis of new Pb-based layered cuprates in (Pb,S)(Sr,La)CuOz compounds

  • Kim, Jin;Lee, Ho Keun
    • Progress in Superconductivity and Cryogenics
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    • v.20 no.3
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    • pp.1-4
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    • 2018
  • The effect of sulfate substitution on the formation of (Pb,S)-1201 type phase was investigated. Polycrystalline samples with nominal compositions of $(Pb_{0.5}B_{0.5-x}S_x)(Sr_{2-y}La_y)CuO_z$, (x = 0 - 0.5, y = 0.7 - 1.0) and $(Pb_{0.5}S_{0.5})(Sr_{2-y}La_y)CuO_z$ (y = 0.5 - 1.0) were prepared by using a solid-state reaction method. The samples were characterized by powder X-ray diffraction (XRD) and resistivity measurements. XRD data revealed that almost-single (Pb,S)-1201 phase samples could be obtained for x = 0.5 and y = 0.9-1.0, judging from the similar results of the XRD patterns between the (Pb,S)-1201 and (Pb,B)-1201 phases. Each of the samples has a crystal structure with tetragonal symmetry. The sample with x = 0.5 and y = 0.9 is found to show an onset of resistivity dropping at over 23 K and zero resistivity at 12 K.

Synthesis, Structure, and Antitumor Activity of Novel Platinum(II) Complexes Involving Asymmetric Chiral Diamines as Carrier Ligands

  • 이은주;전무진;손윤수
    • Bulletin of the Korean Chemical Society
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    • v.20 no.12
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    • pp.1469-1474
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    • 1999
  • New platinum(II) complexes with asymmetrically substituted chiral diamine ligands A₂PtX₂, (A₂ = NH₂CH(CH₃)CH₂NH($c-C_5H_9)$ (apcpa), NH₂CH(CH₃)CH₂NH($c-C_6H_11)$ (apcha); X₂ = 2Cl, isopropylidenmalonate (IPM), 1,1'-cyclobutandicarboxylate (CBDCA)) have been synthesized and characterized by means of elemental analyses, infrared and NMR spectroscopies, and X-ray crystallography. The crystal structures of (S-apcha)Pt[CBDCA] ·3H₂O (orthorhombic, P2₁2₁2(No. 18), a = 6.926(3), b = 15.243(3), c = 19.319(4)Å, V = 2039.5(10) ų, Z = 4, R = 0.072) and (S-apcha)Pt[IPM] ·2.5 H₂O (monoclinic, P2/C(No. 13), a = 9.882(1), b =18.502(1), c = 22.056(1)Å, V = 4032.8(5)ų, Z = 8, R=0.093) exhibit that the platinum atoms achieve a typical square planar arrangement with two nitrogen atoms in cis position and with the chiral center retained. The spectroscopic data disclose that these platinum complexes are stable and their molecular structures are retained in aqueous solution. Among these platinum complexes, the asymmetric diamine-Pt(II) complexes with chloride leaving group exhibit high in vivo activity comparable to cisplatin against leukemia L1210 cell line.