• 제목/요약/키워드: B20 crystal structure

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

  • 김신애;김성훈;소지용;이정수;이창희
    • 한국광물학회지
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    • 제20권4호
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    • pp.351-356
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    • 2007
  • 수소원자를 포함한 강유전체 $Li(NH_4)SO_4$의 중수소 치환형인 $Li(ND_4)SO_4$ 단결정에 대해 X-선과 중성자 회절법으로 결정구조를 연구하였다. 이 결정은 상온에서 사방정계이고 공간군은 $P2_1nb$이다. 격자상수는 $a=5.2773(5)\;{\AA},\;b=9.1244(23)\;{\AA},\;c=8.7719(11)\;{\AA}$이며 Z=4이다. 한국원자력연구원의 연구용 원자로인 하나로에 설치된 중성자 4축 단결정 회절장치로 중성자데이터를 수집하였으며, X-선 회절데이터는 일본 동북대학교 물리학과에서 측정하였다. X-선 회절법으로 수집한 1450개의 독립 회절반점에 대하여 최소자승법으로 정밀화하여 최종 신뢰도값 R=0.070을 얻었으며, 중성자 회절법으로는 745개의 회절반점에 대하여 R=0.049을 얻었다. X-선 회절데이터 분석 결과 결정구조 내의 수소원자 중 1개의 위치만을 얻었으나, 중성자 회절법으로는 $NH_4$ 사면체의 수소/중수소원자의 위치는 물론 H를 치환해서 들어간 D의 점유율을 정련하여 측정시료의 평균화학식이 $LiND_{3.05}H_{0.95}SO_4$임을 밝혔다.

Oxide perovskite crystals type ABCO4:application and growth

  • Pajaczkowska, A.
    • 한국결정성장학회:학술대회논문집
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    • 한국결정성장학회 1996년도 The 9th KACG Technical Annual Meeting and the 3rd Korea-Japan EMGS (Electronic Materials Growth Symposium)
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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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Bacillus macerans에서 정제한 $\alpha$-cyclooextrin glucanotransferase의 구조와 칼슘이온이 기능에 미치는 영향 : X-ray 연구 (Structure and $Ca^{2+}$-ion effects on the function of $\alpha$-cyclodextrin Glucanotransferase from B. macerans : An X-ray study)

  • 최희욱;홍순강
    • KSBB Journal
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    • 제19권2호
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    • pp.159-163
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    • 2004
  • $\AA$의 분해능을 가진 Bacillus macerans에서 분리 정제한 cyclodextrin glucanotransferase의 결정 구조를 X-ray를 이용하여 분자 대치법을 사용하여 밝혔다. 정확한 구조는 16.6% ( $R_{free}$ = 20.5%)의 결정학적 R-factor를 가지고 있다. 두 개의 $Ca^{2+}$$_{-}$/ 이온이 점유된 새로운 금속 결합자리는 활성 자리의 도달 채널에서 발견되었다. $Ca^{2+}$$_{-}$/ 이온에 결합하는 음의 하전을 띤 아미노산 잔기들이 많이 밀집되어 있고 이 때, domain A ($\alpha$H에서 아미노산 잔기 283-297)의 중심부에 연결 부분은 $\beta$ 13-$\alpha$G 이었다. $\beta$13-$\alpha$G 부분은 활성 자리의 입구에 위치한 subsite 1에서 -1 과 Tyr260 (subsite 2)사이에 있는 촉매 부위 Glu258을 포함하고 있다. 비록 $\alpha$-CGTase 부류에서 잘 보존되어 있지는 않으나, 새로운 $Ca^{2+}$$_{-}$/ 자리 3a,b가 이 $\alpha$-CGTase의 활성도와 생성물의 특이성에 중요한 역할을 하리라 추측된다.다.

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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    • 제13권5호
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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.

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

  • 이종형;유덕상;박신규
    • 한국산업융합학회 논문집
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    • 제6권4호
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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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    • 제20권11호
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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.

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

  • 정우진;김우경;양우석;이형만;권순우;송명근;이한영
    • 대한전자공학회논문지SD
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    • 제44권3호
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    • pp.20-25
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    • 2007
  • 본 논문에서는 $LiNbO_3$의 선택적 영역을 도메인 반전을 수행하였으며, 이를 대역변조기 및 SSB 광변조기 제작에 응용하였다. 인가전압에 대한 회로적인 응답전류를 분석 및 고려함으로써 도메인 벽의 이동속도를 정확히 제어할 수 있었다. 과도한 도메인의 벽 이동속도에 의한 도메인 반전 형상을 확인하였고, 또한 도메인 벽의 진행방향에 따라 그 속도의 차이가 발생함을 알 수 있었다. 제작된 대역변조기는 30.3 GHz를 중심주파수로 하여 5.1GHz의 3dB 대역폭을 보였고. SSB 광변조기의 변조 스펙트럼으로부터 19dBm의 5.8GHz RF 입력신호에 대해 USB가 LSB에 비해 33dB정도 억제됨을 확인할 수 있었다.

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

  • 황규석;김병훈;최석진
    • 한국세라믹학회지
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    • 제30권8호
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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
    • 한국초전도ㆍ저온공학회논문지
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    • 제20권3호
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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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    • 제20권12호
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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.