• The Korean Journal of Ceramics
• /
• v.5 no.4
• /
• pp.341-347
• /
• 1999

An ambiguity on the correct room temperature structure of $Bi_5Ti_3FeO_{15}$ was resolved using a combined Rietveld refinement of neutron and X-ray diffraction. The structure of this compound has been reported to have a space group of F2mm (adopting 2-fold rotation symmetry along the c-axis) or A21am. However, our diffraction, study reveals that some reflections would violate F-centering and confirm that the belong to $A2_1$am. Out refinement with the space group of $A2_1$am converged at $R_p=6.85%, R_wp=9.23%$ and $\chi^2$=1.66 for an isotropic temperature model with 85 variables. The lattice constants are a=5.4677(1) $\AA$, b=5.4396(1) $\AA$, and c=41.2475(8)$\AA$. In structure, Ti/Fe atoms at the oxygen octahedral sites of the perovskite unit are completely disordered, resulting in that these atoms are transparent in neutron diffraction. The octahedra of the perovskite unit are relatively displaced along the a-axis against the Bi atoms, which contribute as a major component to the spontaneous polarization of $Bi_5Ti_3FeO_{15}$.

• Journal of Pharmaceutical Investigation
• /
• v.26 no.1
• /
• pp.55-59
• /
• 1996

The crystal structure of diflunisal, 2',4'-difluoro-4-hydroxy-3-biphenyl-carboxylic acid, was determined by single crystal X-ray diffraction technique. The compound was recrystallized from a mixture of acetone and water in monoclinic, space group C2/c, with $a\;=\;34.666(6),\;b\;=\;3.743(1),\;c\;=\;20.737(4)\;{\AA},\;{\beta}=\;110.57(2)^{\circ}$, and Z = 8. The calculated density is $1.324\;g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.045 for 1299 observed reflections. It was found that the molecules in the crystal are partially disordered, that is, the two equivalent conformers $(180^{\circ}$ rotated ones through C(1)-C(7)) are packed alternatively without regular symmetry or sequence. The two phenyl rings of the biphenyl group is tilted to each other by the dihedral angle of $43.3^{\circ}$. The carboxyl group at the salicylic moiety is just coplanar to the phenyl ring, and the planarity of this salicylic moiety is stabilized by an intramolecular hydrogen bond of O(3)-H(O3) O(2). The molecules are dimerized through the intermolecular hydrogen bonds at the carboxyl group in the crystal.

• Nuclear Engineering and Technology
• /
• v.55 no.5
• /
• pp.1885-1891
• /
• 2023

The present work aims to fabricate Na_1+xZr₂Si_xP_3-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.

• Journal of the Korean Chemical Society
• /
• v.57 no.4
• /
• pp.447-454
• /
• 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.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.08a
• /
• pp.302-302
• /
• 2011

The binary chalcogenide semiconductor Bi2Se3 is at the center of intensive research on a new state of matter known as topological insulators. It has Dirac point in their band structures with robust surface states that are protected against external perturbations by strong spin-orbit coupling with broken inversion symmetry. Such unique band configurations were confirmed by recent angle-resolved photoelectron emission spectroscopy experiments with an unwanted n-type doping effect, showing a Fermi level shift of about 0.3 eV caused by atomic defects such as Se vacancies. Since the number of defects can be reduced using the molecular beam epitaxy (MBE) method. We have prepared the Bi2Se3 film on noble metal Au(111) and semiconductor Si(111) substrates by MBE method. To characterize the film, we have introduced several surface sensitive techniques including x-ray photoemission electron spectroscopy (XPS) and micro Raman spectroscopy. Also, crystallinity of the film has been confirmed by x-ray diffraction (XRD). Using home-built scanning tunneling microscope, we observed the atomic structure of quintuple layered Bi2Se3 film on Au(111).

• Bulletin of the Korean Chemical Society
• /
• v.21 no.7
• /
• pp.679-684
• /
• 2000

The Sr2Co0.5Nb(Ta)0.5O4 and Sr3CoNb(Ta)O7 compounds, both with Ruddlesden-Popper structures, have been synthesized by the ceramic method at $1150^{\circ}C$ under atmospheric pressure. The crystallographic structure of the compounds was assigned to the tetr agonal system with space group 14/mmm by X-ray diffraction(XRD) Rietveld refinement. The reduced lattice volume and lattice parameters increased as the Ta with 5d substitutes for the Nb with 4d in the compounds. The Co/Nb(Ta)O bond length has been determined by X-ray absorption spectroscopic(EXAFS/XANES) analysis and the XRD refinement. The CoO6,octahedra were tetragonally distorted by elongation of Co-O bond along the c-axis. The magnetic measurement shows the compounds Sr2Co0.5Nb(Ta)0.5O4 and Sr3CoNb(Ta)O7 have paramagnetic properties and the Co ions with intermediate spin sates between high and low spins in D4h symmetry. All the compounds showed semiconducting behavior whose electrical conductivity increased with temperature up to 1000 K. The electrical conductiviy increased and the activation energy for the conduction decreased as the number of perovskite layers increased in the compounds with chemical formula An+1BnO3n+1.

• Journal of Radiation Protection and Research
• /
• v.17 no.1
• /
• pp.43-56
• /
• 1992

As one of the methods to ameliorate the ray effects which are the nature of anomalous computational effects due to the discretization of the angular variable in discrete ordinates approximations, a computational program, named TWODET (TWO dimensional Discrete Element Transport), has developed in 2 dimensional cartesian coordinates system using the discrete elements method, in which the discrete angle quadratures are steered by the spatially dependent angular fluxes. The results of the TWODET calculation with K-2, L-3 discrete angular quadratures, in the problem of a centrally located, isotropically emitting flat source in an absorbing square, are shown to be more accurate than that of the DOT 4.3 calculation with S-10 full symmetry angular quadratures, in remedy of the ray effect at the edge flux distributions of the square. But the computing time of the TWODET is about 4 times more than that of the DOT 4.3. In the problem of vacuum boundaries just outside of the source region in an absorbing square, the results of the TWODET calculation are shown severely anomalous ray effects, due to the sudden discontinuity between the source and the vacuum, like as the results of the DOT 4.3 calculation. In the probelm of an external source in an absorbing square in which a highly absorbing medium is added, the results of the TWODET calculation with K-3, L-4 show a good ones like as, somewhat more than, that of the DOT 4.3 calculation with S-10.

• Journal of Korean Academy of Oral and Maxillofacial Radiology
• /
• v.21 no.1
• /
• pp.137-143
• /
• 1991

In the study of the focal trough of panoramic radiograph using Panoura Eight-S (the Yoshida company), a series of 63 X-ray films were taken with the 8-19 metal pins placed in the holes of the plastic model plate and evaluated by 4 observers. The author analized the focal trough defined by the sharpness criteria and calculated dimension of focal trough in the horizontal plane. The results were as follows; 1. Focal trough was not continued in the anterior region within a very high degree of sharpness. 2. With optional sharpness, the width of anterior and posterior focal trough was approximately l3㎜ and 60㎜ respectively. 3. The focal trough was narrow in the anterior region and was flared laterally with symmetry in posterior region. 4. Sharp image began to show at the position of 18㎜ posteriorly from the most anterior position of chin rest.

• Applied Microscopy
• /
• v.21 no.2
• /
• pp.57-66
• /
• 1991

The main purpose of this paper was to investigate the change of rapidly solidified microstructures and dispersoid behavior according to heat-treatment in the Al-Fe-V-Si-(Mn) alloys. It was found that (111) preferred orientation identified by X-ray diffraction and fine subgrain/large grain were observed in the rapidly solidified Al-Fe-V-Si-(Mn) alloys. Cell boundary of the zone A was composed of the microcrystalline, whereas that of the zone B was amorphous. Decomposition of the Al-Fe-V-Si-(Mn) alloys occurred at about $300^{\circ}C$. These alloys exhibited excellent thermal stability at the elevated temperature. Microstructure of the zone B was more stable than that of the zone A. The spherical dispersoid and 5-fold symmetry phase was also more thermally stable than the amorphous structure of cell boundary.

• Bulletin of the Korean Chemical Society
• /
• v.5 no.4
• /
• pp.158-162
• /
• 1984

The crystal structure of chloramphenicol base, $C_9H_{l2}N_2O_4$, the deacylated base of antibiotic chloramphenicol, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with CuK${\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 22.322(6), b = 7.535(6), c = 5.781(5) ${\AA}$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.051 for the 573 observed reflections. The overall conformation of the base is quite different from those of the chloramphenicol congeners which are similar despite the presence of many rotatable single bonds. The propane chain in the base is bent with respect to the phenyl ring, while it is extended in the chloramphenicol congeners. There is no intramolecular hydrogen bond between the hydroxyl groups of the propanediol moiety. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.