• Journal of the Korean Chemical Society
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• v.40 no.5
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• pp.295-301
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• 1996

A series of solid solutions of the $CaGa_1-xFexO_3-y$ system with the compositions of x=0.25, 0.50, 0.75, and 1.00 has been prepared at $1150^{\circ}C$ under an atmospheric air pressure. The structure, nonstoichiometric chemical formula, and the distribution of cations for the solid solutions are determined by X-ray diffraction analysis, Mohr salt titration, Mossbauer spectroscopic analysis. Their physical properties are discussed with electrical conductivity and magnetic measurements. The crystal system of all the compositions is a brownmillerite orthorhombic system from the X-ray diffraction analysis and the reduced lattice volume increases linearly with x value except that of the composition of x=0.25. All the solid solutions do not contain $Fe^{4+}$ ion and the mole number of oxygen vacancies or y value is 0.50 from Mohr salt analysis. The oxidation state of Fe ion, the coordination state, the structure change in the Brownmillerite-type structure, and the distribution of $Ga^{3+}$ and $Fe^{3+}$ ions are discussed with Mossbauer spectroscopic analysis. The electrical conductivity increases and activation energy decreases, as x value increases. The traditional semiconducting property of this system is described in terms of band theory. The compositions of x=0.50∼1.00 show a thermal magnetic hysteresis in the magnetic measurement with the cooling conditions, which is discussed in terms of the space group and Dzyaloshinsky-Moriya interaction.

• Journal of the Korean Chemical Society
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• v.37 no.6
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• pp.599-603
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• 1993

Crystal structure of bis(1,2-diaminopropane)palladium(II) bis(oxalato)palladate(II) has been determined by X-ray crystallography. Crystal data: $Pd_2C_{10}H_{10}N_{4}O_{8}$, $M_W$ = 573.09, orthorhombic, space group $P_{ccn}$ (No = 56), a = 16.178(5), b = 16.381(6), c = 6.685(2)$\{AA}$, V = 1771.6 $\{AA}^3$, $M_W$W = 573.09, $D_c$ = 2.014 g${\cdot}c\;m^{-3}$, Z = 4, T = 294K, F(000) = 1056.0 and $\mu$ = 20.466 c$m^{-1}$. The intensity data were collected with $Mo-K\alpha$ radiation (${\lambda}$ = 0.7107 $\AA)$ on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-squares methods using Pivot weights. The final R and S values were R = 0.065, $R_W = 0.059, R_{all}$ = 0.065 and S = 4.315 for 605 observed reflections. Both cation and anion complexes are essentially planar and have dihedral angle of $18(l)^{\circ}$ between thier planes. In the crystal structure, they do not have the Magnus's salt type mixed stacks; instead, the complex anions form regular stacks along the c-axis with the M-M bond length of $3.343(5)\AA$ and their stacks are surrounded by the complex cations through hydrogen bonds with the nitrogen-oxygen distances of 2.94(3) and $3.31(4)\AA.$

• 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, $LiND_{3.05}H_{0.95}SO_4$.

• Journal of the Korean Society for Nondestructive Testing
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• v.19 no.3
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• pp.180-188
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• 1999

The dynamic elastic properties of metal matrix composites were investigated by resonant ultrasound spectroscopy(RUS). The composites used in this study consisted of 2124 aluminum alloy reinforced with different concentrations of SiC particles. RUS can determine the nine independent elastic stiffness($C_{ij}$) for the orthorhombic symmetry on a small specimen simultaneously. The elastic constants were determined as a function of the volume fraction. A concept of effective aspect ratio. which combine the aspect ratio and the orientation of reinforcement. was used to calculate the initial moduli from Mori-Tanaka theory for the input of RUS minimization code. Young's moduli can be obtained from the measured stiffnesses. The results show that the elastic stiffness increases with increment of the particle content. The behavior of elastic stiffness indicates that the particle redistribution induced by the extrusion process enlarges the transversely isotropic symmetry as the fraction of reinforced particles increase. This relationship could be used for determination of the volume fractions of reinforcement as a potential tool of nondestructive material characterization.

• Journal of the Mineralogical Society of Korea
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• v.1 no.2
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• pp.94-103
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• 1988

Diamond anvil cell (DAC) interfaced with a YAG laser heating system has been used to study the phase transformations on perovskite structured titanates ($BaTiO_3$, and $PbTiO_3$) and to synthesize the silicate perovskite phase from the orthopyroxenes of $MgSiO_3$ and $(Mg_{0.87},\;Fe_{0.13})SiO_3$. $BaTiO_3$ and $PbTiO_3$ transform from tetragonal phase to cubic at the pressures of approximately 2.6 GPa and 4.0 GPa at room temperature, respectively. Cubic phases of the both show wide range of stability in the extended in-situ high pressures and high temperature regions. Starting orthoenstatite of $MgSiO_3$ has yielded the perovskite phase as the major structure with ilmenite, gamma-spinel, betta-spinel and stishovite phases at ~38 GPa and ${\sim}1,000^{\circ}C$. $(Mg_{0.87},\;Fe_{0.13})SiO_3$ has shown the perovskite as the major phase with betta-spinel, stishovite and enstatite phases at ~35 GPa and ${\sim}1,000^{\circ}C$. The ilmenite phase does not occur at this condition.

• Journal of the Korean Chemical Society
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• v.32 no.1
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• pp.9-14
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• 1988

Perovskite type compounds of the $La_{1-x}Ca_xFeO_{3-y}$ system were prepared from stoichiometric mixtures of La_2O_3,\;CaCO_3$, and Fe(NO-3)_3{\cdot}9H_2O$ by heating at 1100$^{\circ}C$ for 24 hours. The crystallographic structures of the solid solutions of all compositions were orthorhombic systems. X-ray diffraction and Mohr salt analysis revealed that at higher y value the phase transition due to vacancy ordering occured and that the lattice volume decreased when the x value was increased. The value of nonstoichiometric ratio y were found to be in the range of $0.0{\sim}0.5$. Electrical conductivities of this systems are measured in temperature range of -100 to 100$^{\circ}C$. Ionic contribution to total conductivity was found from activation energy in the phase containing the open pathway due to vacancy ordering.

• Journal of the Korean Chemical Society
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• v.37 no.3
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• pp.344-350
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• 1993

25,26,27,28-Tetraacetoxycalix[4]arene·monohydrate is orthorhombic, space group Pbca with a = 14.979(4), b = 15.154(4), c = 27.890(3) ${\AA}$, Z = 8, V = 6330.6 ${\AA}^{-3}$, D$_c$ = 1.28 $g{\cdot}cm^{-3}$, (Mo K${\alpha}$) = 0.71069 ${\AA}$, ${\mu}$ = 0.86 cm$^{-1}$, F(000) = 2600, and R = 0.069 for 3376 unique observed reflections with I > 1.0 ${\sigma}$(I). The structure was solved by direct methods and refined by cascade diagonal least-squares refinement. All the C-H bond lengths(= 0.96 ${\AA}$), the methyl groups and the methylene groups are fixed and refined as the rigid groups with ideal geometry. The macrocycle exists in the 1,3 alternate conformation (by Conforth) making the angles of 110.7, 684, 113.7 and 68.8$^{\circ}$ between the benzene rings and the methylenic mean plane, and four each acetoxy groups are twisted away from their own benzene rings with the angles of 68.2, 97.6, 78.9 and 71.3$^{\circ}$, respectively. The relative dihedral angles between two opposite side of the benzene rings are 135.6$^{\circ}$ for the rings (1) and (3) and 135.2$^{\circ}$ for (2) and (4). A water molecule which has nearly the same height of the methylenic plane of the macrocycle in the c-axis, is located within the distances of 2.942(5) ${\AA}$ from the O(8) atom of the carbonyl group and 2.901 ${\AA}$ from, another O(2)(1/2-x, -1/2＋y, z). The shortest contact between the molecule is 3.193 ${\AA}$ from the O(4) to the C(3)(1/2＋x, 1/2-y,-z).

• Korean Journal of Mineralogy and Petrology
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• v.35 no.3
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• pp.345-353
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• 2022

This study aimed to fundamentally understand changes of cell parameters of cation-exchanged mordenites using high resolution X-ray powder diffraction for studies that immobilization of various heavy metal cation using synthesis mordenite (Na_6.6Al_6.6Si_41.4O₉₆·20.4H₂O, Na-MOR). As a results of measurement by Thermogravimetric analysis (TGA), it was confirmed that 19.4, 20.4 water molecules per unit cell were present in monovalent-cation substituted MOR (Cs-MOR, Na-MOR), and 21, 23.1, 23.2 water molecules per unit cell were present in divalent-cation substituted MOR (Pb-MOR, Sr-MOR, Cd-MOR). The space group of all the samples were identified as Cmcm belonging to the orthorhombic crystal system. Compared to Na-MOR, starting material, relative peak intensity of (110) and (200) is significantly changed after cation substitution whereas peak position is almost similar. Also, (220) peak that was not found in Na-MOR was clearly observed in Pb-, Cd- and Sr-exchanged MOR. Thus, it was estimated that changes of atomic distribution usually occurred on ab-plane while changes of cell parameters were little. Detailed changes in the cell parameters of cation-exchanged mordenites were derived from whole profile fitting method using the GSAS suite program. Changes in the axial lengths and unit cell volume of cation substitution showed different relationship depending on ionic radius and charge number. In case of monovalent-cation substituted MOR, the length of a-axis increases whereas the length of b- and c-axis decrease by absorbed cation radius. In the case of divalent-cation exchanged MOR, the length of a-axis usually decreases while the length of b- and c-axis increases by cation radius. It was confirmed that unit cell volume of monovalent and divalent cation substituted MORs had an independent tendency by cation radius.

• Journal of the Korean Vacuum Society
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• v.6 no.2
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• pp.129-135
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• 1997

Undoped and Co-doped $ZnIn_2Se_4$ single crystals crystallized in the tetragonal space group 142m, with lattice constants a=5.748 $\AA$ and c=11.475 $\AA$, and a=5.567 $\AA$ and c=11.401 $\AA$. The optical absorption measured near the fundamental band edge showed that the optical energy band structure of these compounds had an indirect band gap, the direct and the indirect energy gaps of these compounds decreased as temperature changed from 10 to 300 K. The temperature coefficients of the direct energy gaps were found to be $\alpha=3.71\times10^{-4}$eV/K and $\beta$=519 K for $\alpha=3.71\times10^{-4}$eV/K and $\beta$=421K for $ZnIn_2Se_4$: Co. The temperature coefficients of the indirect energy gaps were also found to be $\alpha=2.31\times10^{-4}$ eV/K and $\beta$=285 K for $ZnIn_2Se_4$, and $\alpha=3.71\times10^{-4}$eV/K and $\beta$=609 K for $ZnIn_2Se_4$:Co, respectively. Six impurity optical absorption peaks due to cobalt are observed in $ZnIn_2Se_4$:Co single crystal. These impurity optical absorption peaks can be attibuted to the electronic transitions between the split energy levels of$CO^{2+}$ ions located at Td symmetry site of $ZnIn_2Se_4$ host lattice. The 1st order spin-orbit coupling constant ($\lambda$), Racah parameter (B), and crystal field parameter (Dq) ARE GIVEN AS -$243\textrm{cm}^{-1}, 587\textrm{cm}^{-1}, \;and\;327\textrm{cm}^{-1}$, respectively.