• Korean Journal of Crystallography
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• v.9 no.1
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• pp.15-20
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• 1998

Single crystals of lithium heptaborate, Li3B7O12(M=288.49), have been grown and their structure was determined by the x-ray powder diffraction and the single crystal diffraction technique. It is found that the borate anion consists of two(B3O7)3- and (B3O8)5- groups a unit cell. The space group was determined to be P-1(Ci1) with a=6.500(3) Å, b=7.839(2) Å, c=8.512(1) Å, α=92.07(2)˚, β=104.97(2)˚, γ=99.35(3)˚, V=412.0(2) Å3, Z=2 Dx=2.32 g cm-3, MoKα, λ=0.71069 Å, μ=2.15cm-1, T=293K. The structure was refined to R=0.0339 and wR=0.0882 for 2296 unique reflections by the single crystal diffraction. By the x-ray powder diffraction, we could obtain the similar results.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.48-52
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• 1998

The new Nd3Ba5Co4O15 phase was synthesized with Nd2O3, BaCO3, and Co3O4 by solid state reaction at 1200℃ with intermittent grinding. The crystal structure of Nd3Ba5Co4O15 has been refined on X-ray diffraction powder data by means of Rietveld method. The starting model was based on the Nd3.43Ba4.42Co2.23Al1.77O15 structure. The crystal system was hexagonal, space group P63mc(186), a=11.629(3) Å, c=6.842(2) Å. Final R values were Rwp=0.097 and Rp=0.068. The structure consists of clusters of CoVICoIV3O15 in which a CoVI octahedron shares corners with 3CoIV tetrahedra.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.71-76
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• 1998

Crystal structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II0 has been determined by X-ray crystallography. Crystal data : (Pd(C2H8N2)2.Pd(C2O4)2), Fw=509.04, Monocline, Space Group P21/c (no=14), a=6.959(2), b=13.506(2), c=15.339(2) Å, β=99.94(3), Z=4, V=1420 Å3, Dc=2.380 gcm-3, μ=25.46cm-1, F(000)=992. The intensity data were collected with Mo-Kα radiation (λ=0.7107 Å) on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-square methods using unit weights. The final R and S values were R=0.021, Rw=0.030, Rall=0.032 abd S=2.1 for 1472 observed reflections. The essentially planar complex anions form diade of interplanar distances of 3.41 Å and their diads are stacked along aaxis with interplanar separation of 3.44 Å.

• Korean Journal of Crystallography
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• v.1 no.2
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• pp.66-75
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• 1990

The Pd-Te system has been investigated by differential thermal analysis, X-ray diffration, electron probe microanalysis and reflected light microscopy. New phase relations in 0-50at% Te portion of the binary system are proposed. Eight binary phases exist in the system:Pd17Te4, Pd20Te7.PdsTe3, P477e3, P497e4, P637e2, PeTe and PaTe2. Of these, P677e3 is a newly reported phase. P4177e4 is cubic, space group Fd3c, with a=12.678(5)A. The X-ray powder data of PdsTe3, indexed on an orthorhombic cell, give a= 12.843(3), b=15.126(3), c: 11.304(2)A and those of PdTTe.1, indexed on a monoclinic cell, give a=7.444(1), b= 13.918(2) , c=8.873(2)A. p =92.46(2). Some physical and optical properties of synthetic phases in the system are also reported.

• Korean Journal of Crystallography
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• v.1 no.2
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• pp.76-83
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• 1990

The structures of dehydrated fully Ca2+ _exchanged zeolite A (a: 12.2a3(2) A and of its iodine sorption complex (a=12.258(2) A) have been determined by single-crystal X-ray diffraction methods in the cubic space group. Pm3m at 21(1)℃.the structures were refined to final R(weighted) indices of 0.081 with 206 reflections and 0.084 with 173 reflections, respectively for which I>3 w (I). In each structure. six divalent cations are located on three different theefold axes associated with 6-ring oxygens. Dehydrated Ca2+_A sorbs ca. 6.0 diiodine molecules per unit cell at 80℃(vapor pressure of I: is ca. 14.3 Torr). Each iodine molecule makes a close approach. along its ahs to framework oxygen atom with I-I distance of 2.71(2) A, I-O distance of 3.32(3) k. and I-I-0=180℃. The result indicates that diiodine molecule forms charge transfer complex with framework oxygen.

• Korean Journal of Crystallography
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• v.6 no.1
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• pp.43-48
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• 1995

The crystal structure of P-toluenesulfonanilide, C13H13NO2S is monoclinic, space group P21/c, a=8.777(1)Å, b=9.784(2)Å, c=15.139(2)Å, β=99.00(1)°, Z=4, V=1284.0(6)Å3, Dc=1.28g/cm33, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=520, Temperature : 293±3K, R=0.038 for 711 Fo<3.0σ unique observed reflection. The structure was determuned by direct method and refined by full-matrix least squares refinement. Two benzene rings have the dihedral angle of 68.4°. Moleculs are accumulated according to the c axis with two fold screw and contacted by van der Walls force.

• Korean Journal of Crystallography
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• v.7 no.2
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• pp.126-132
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• 1996

Cholesteryl isopropyl carbonate(C31O3H52) is orthorhombic, space group P212121, a=6.266(4), b=10.836(5), c=47.364(20)Å, Z=4, Dc=0.98 g/cm3 and Dm=1.01 g/cm3. The intensity data were collected on a Nonius CAD-4 diffractometer with a graphite-monochromatized MoKα radiation to a maximum 2θ value of 40°. The structure are solved by direct methods and refined by Fourier and full matrix least-squares methods. The present R factor was 0.22 for 1513 observed reflections. The further refinements are in progress. Compared with other cholesterol derivatives, the cholesteryl ring and tail region of the molecule are normal. The molecular long axes are parellel to the c-axis. There are close packings of cholesterol groups and loose packings of isopropyl carbonate chains forming monolayers.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.1-5
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• 1998

The complex[Cu(L)I2, 2H2O(1) (L:3,14-Dimethyl-2,6,13,17-tetraazatricyclo [14,4,01.18, 07.12]docosane) has been prepared and structurally characterized. The complex (1) crystallizes in the triclinic system, space group P1, a=8.400(1)Å, b=8.986(3) Å, c=9.156(1) Å, α=82.42(1)˚, β=73.61(1)˚ λ=81.04(2)˚, Z=1, R for 1926 observed reflections of [F0>40(F0)], measured at 288K, was 0.042. The tetracoordination around Cu atom of complex(1) is square plane and the average bond distance of Cu-N is 2.029 (11) Å. Both six-membered chelate rings adopts a chair conformation and the five-membered ring are gauche with the sec-NH centers having the RRSS configuration.

• Nuclear Engineering and Technology
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• v.48 no.1
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• pp.164-168
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• 2016

Lean duplex stainless steels with 0.087 wt.% gadolinium (Gd) were inert arc-melted and cast in molds of size $10mm{\times}10mm{\times}20mm$. The micro-hardnesses of the rolling direction (RD), transverse direction (TD) and short transverse (ST) direction were $258.5H_V$, $292.3H_V$, and $314.7H_V$, respectively. A 33% cold rolled specimen had the crystallographic texture that (100) pole was mainly concentrated to the normal direction (ND) and (110) pole was concentrated in the center of ND and RD. The corrosion potential and corrosion rate in artificial seawater and $0.1M\;H_2SO_4$ solution were in the range of $105.6-221.6mV_{SHE}$, $0.59-1.06mA/cm^2$, and $4.75-8.25mV_{SHE}$, $0.69-1.68mA/cm^2$, respectively. The friction coefficient and wear loss of the 0.087 w/o Gd-lean duplex stainless steels in artificial seawater were about 67% and 65% lower than in air, whereas the wear efficiency was 22% higher. The corrosion and wear behaviors of the 0.087 w/o Gd-lean duplex stainless steels significantly depended on the Gd phases.

• Journal of the Mineralogical Society of Korea
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• v.4 no.2
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• pp.99-107
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• 1991

Three fully dehydrated fully Rb+-exchanged zeolite A single crystals have been prepared by the reduction of all Na+ ions in dehydrated Na12-A by rubidium vapor at various experimental conditions (220 $\leq$ T $\leq$ 33$0^{\circ}C$, 2 $\leq$ t $\leq$24 hours, and 0.1 $\leq$ PRb $\leq$ 1.1 Torr). Their structures were determined by single-crystal X-ray diffraction methods in the space group {{{{ RHO }}m3m (a=12.245(3) A) at 22(1)$^{\circ}C$. In these structures 12.6(2) to 13.5(2) Rb species are found per unit cell, more than the 12 Rb+ ions needed to balance the anionic charge of the zeolite framework, indication that the sorption of Rb0 has occurred. In each structure, three Rb+ ions per unit cell are located at the centers of 8-rings. Beyond that, the fractional occupancies observed are simply explained by two unit cell arrangments. In one, two Rb+ ions are in the sodalite unit near opposite 6-rings, six are in the large cavity near 6-ring, and one is in the large cavity near a 4-ring. In the other, three Rb species in the sodalite cavity (forming a triangle 3.7 A on an edge) each bond (3.4 A) through a 6-ring to an Rb species in the large cavity to give an (Rb6)4+ cluster of symmetry 3m (C3V). Five additional Rb+ ions fill the remaining large-cavity 6-ring sites.