• Bulletin of the Korean Chemical Society
• /
• v.33 no.6
• /
• pp.2028-2030
• /
• 2012

The single-crystal structure of $CaCl_2{\cdot}2C_6H_{12}O_6{\cdot}3H_2O$ was determined with Mr=525.34, a=16.054(7) ${\AA}$, b=7.864(4) ${\AA}$, c=10.909(5) ${\AA}$, ${\beta}=127.894(8)^{\circ}$, V=1086.9(9) ${\AA}^3$, C2, Z=2 and $R$=0.0227 for 1727 observed reflections. The fructose moiety of the complex exists as a ${\beta}$-D-pyranose. The calcium ion is surrounded by eight oxygen atoms, These are arranged in symmetry-related pairs derived from four sugar and two water molecules. Three nonvicinal hydroxyl groups of fructose are involved in calcium binding. All the hydroxyl groups and water molecules are involved in forming an extensive hydrogen-bond network.

• Bulletin of the Korean Chemical Society
• /
• v.8 no.1
• /
• pp.1-3
• /
• 1987

The crystal structure of $K_5Na_2[SbW_6O_{24}]{\cdot}12H_2O$ has been determined. Final R = 0.081 for 890 observed independent reflections collected by diffractometry. Crystal data as follows; trigonal, space group R3m, a = 9.794(1) ${\AA},\;{\alpha}$ = 84.72$(1)^{\circ}$, Z = 1. The heteropolyanion has a structure with point symmetry $D_{3d}$ (3m), of the ideal Anderson-type heteropolyanion. The Sb-W and W-W distances are 3.259(2) and 3.259(3) ${\AA}$. Three types of W-O ($W-O_t,\;W-O_b\;and\;W-O_c$) distances are 1.73(2), 1.95(4) and 2.20(3) ${\AA}$. The Sb-O distance is 1.97(3) ${\AA}$.

• Journal of the Korean Magnetics Society
• /
• v.19 no.2
• /
• pp.47-51
• /
• 2009

The surface structure of polycrystalline Fe films of various thicknesses on glass substrates have been studied using a Ti: Sapphire laser at 780 nm. We found that the surface structure possesses C$_s$ crystal structure close to $C_{2v}$ through symmetry consideration. We present one-fold intensity profile with one mirror plane in second harmonic (SH) intensity as a proof of $C_s$ symmetry. $C_s$ and $C_{2v}$ surface symmetries usually appear at the (110) surface of a cubic diamond single crystal [1]. Therefore this surface symmetry would be related to bcc (110) growth orientation coinciding with XRD measurement. Further we treated surface normalized SH asymmetry with various thicknesses. The SH asymmetry increases with increasing of film thickness. From these results, it is observed that the surface structure of thin polycrystalline Fe film below 5 nm is almost isotropic, while in the case of the thicker Fe films, surface structure have $C_s$ symmetry structure close to $C_{2v}$.

• Journal of the Korean earth science society
• /
• v.23 no.1
• /
• pp.52-58
• /
• 2002

A colorless and transparent zirconium oxide ($Zr_{0.73}Y_{0.27}O_{1.87}$) crystal has been synthesized by the Bridgman-Stockbager method. The gem-quality material is produced by adding 20${\sim}$25 wt.% $Y_2O_3$ (stabilizer) and 0.04 wt.% $Nd_2O_3$ (decolorising agent) to the $ZrO_2$ powder. It shows a vitreous luster with a slight oily appearance. Under a polarizing microscope, it shows isotropic nature with no appreciable anisotropism. Mohs hardness value and specific gravity is measured to be 8${\sim}$$8{\frac{1}{2}}$ and 5.85, respectively. Under ultraviolet light it shows a faint white glow. The crystal structure of yttria-stabilized zirconia with 0.27 at.% Y has been re-investigated, using single crystal X-ray diffraction, and confirmed to be a cubic symmetry, space group $Fm{\overline{3}}m$ ($O^5_h$) with a=5.1552(5) ${{\AA}}$, V=136.99(5) ${{\AA}}^3$, Z=4. The stabilizer atoms randomly occupy the zirconium sites and there are displacements of oxygen atoms with amplitudes of ${\Delta}/a{\sim}$0.033 and 0.11 along <110> and <111> from the ideal positions of the fluorite structure, respectively.

• Korean Journal of Crystallography
• /
• v.11 no.2
• /
• pp.84-88
• /
• 2000

The crystal of cholesteryl crotylcarbonate was investigated by X-ray diffraction method. Crystallographic data for the title compound: P21, a=13.510(2)Å, b=11.843(2)Å, c=19.882(2)Å, β=106.88(1)°, Z=4. Reflections were collected with an Enraf-Nonius CAD-4 diffractometer equipped with a graphite monochromator. The structure was solved by direct methods and refined by least-squares analyses. The final R value was 0.125 for 2607 reflections. The cholesterol fragment of the title compound were in good agreement with those for related cholesterol derivatives. The molecules were stacked in clearly separated layers. At the center of the layers, there were cholesteryl-cholesteryl interactions between the symmetry-related B molecules and the cholesteryl-C(17) side chain of A molecules. There were also interactions between the C(17) side chain of B molecules and the crotylcarbonate chain in the interface region between layers. The crystal structure of the title compound turned out to be isostructural with those of cholesteryl ethylcarbonate and cholesteryl propylcarbonate.

• Bulletin of the Korean Chemical Society
• /
• v.23 no.11
• /
• pp.1629-1634
• /
• 2002

Reaction of tetrahomodioxa p-phenylcalix[4]arene with alkyl halide and NaH in DMF leads to the title tetra-alkylated derivatives, 7,13,21,27-tetra-phenyl-29,30,31,32-tetraalkyloxy-2,3,16,17-tetrahomo-3,17-dioxacalix [4]arenes, their preferred conformations were determined by NMR spectra as C-1,2-alternate. The molecular structure of allyl derivative has been solved by X-ray diffraction methods. The molecules have a conformation with pseudo center of symmetry. The benzene ring A is up, ring C is down, B and D rings are flat with respect to the plane of the macrocyclic ring.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.21 no.12
• /
• pp.1057-1062
• /
• 2008

The ${\alpha}-In_2S_3:Co^{2+}$ single crystal with a good quality and stabilized property were gained successfully by the CTR(Chemical Transport Reaction)method. XRD analysis showed that the grown single crystals were cubic structure. The optical absorption spectra of ${\alpha}-In_2S_3:Co^{2+}$ single crystal showed impurity absorption peaks due to cobalt impurity. These impurity absorption pesks were assigned to the ligand transition between the split energy levels of $Co^{2+}$ ions sited in $T_d$ symmetry of these semiconductor host lattice.

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.5 no.3
• /
• pp.233-239
• /
• 1995

$La_{1/3}NbO_3$ and $La_{1/3}TaO_3$ large single crystal was prepared by the infrared floating zone method and their crystal structure and dielectric properties were investigated from the viewpoint of A - site vacancy. In $La_{1/3}TaO_3$ crystal, the crystal symmetry and approximate lattice constants was tetragonal and a $\approx$ 0.397, b $\approx$ 0.397 and c $\approx$ 0.775 from the nonextinction and the reciprocal lattice point length seen on Weissenberg and Precession photographs. The jump of some $2/3La^{3+}$ ions leads to increase the moving paths due to the generation of new vacancies at middle empty sites and thus this result is confirmed to provoke the dielectric anomaly.

• Electrical & Electronic Materials
• /
• v.10 no.2
• /
• pp.105-112
• /
• 1997

Undoped and Co$^{2+}$-doped Zn$_{4}$GeSe$_{6}$ single crystals were grown by the Chemical Transport Reaction method using iodine as a transporting agent. The crystal structure of these compounds determined by X-ray diffraction analysis was monoclinic structure. The direct energy gaps of these compounds were measured and the temperature dependence of the optical energy gap were closely investigated over the temperature range 10-290K. The temperature dependence of the optical energy gap is well presented by the Varshni equation. Also the optical absorption peaks of Zn$_{4}$GeSe$_{6}$ :Co$^{2+}$ single crystal observed, centered at 5437, 6079, 7142, 12950, 13462, 14786 and 15735 $cm^{-1}$ /, can be explained in terms of the electronic transitions of Co$^{2+}$ ions located at Td symmetry of the host materials. According to the crystal-field theory, the crystal-field, Racah and spin-orbit coupling parameters obtained from the absorption bands are given by Dq = 361$cm^{-1}$ /, B = 655$cm^{-1}$ / and .lambda. = 284$cm^{-1}$ / respectively.ively.

• Korean Journal of Crystallography
• /
• v.15 no.1
• /
• pp.29-34
• /
• 2004

The crystal structure of cholesteryl hemisuccinate ($C_{31}H_{50}O_4$) was investigated by X-ray diffraction method. The cholesterol fragment of the title compound were in good agreement with those for related cholesterol derivatives. The unit cell contains four cholesteryl hemisuccinate molecules that are not related by crystal symmetry and have their tetracyclic system almost parellel to each other. There are two pairs of hydrogen-bonded dimer between A and D molecules and B and C molecules. These two hydrogen-bonded dimers are parallel to the c-axis, and are closely packed.