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40 citations found for Yoshiasa,

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The absorption intensity invariant point (AIIP) was found to be between the pre-edge and post-edge in XANES spectra of various titanium compounds. Use of the AIIP peak intensity as a standard point enables a quantitative comparison of the intensity of the pre-edge peaks in various titanium compounds over a wide temperature range.

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A single-crystal X-ray diffraction and XANES investigation of the mineral petzite is reported.

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Acta Cryst. (2014). A70, C1111
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Kottogite and symplesite are zinc and ferrous arsenate minerals, respectively. These minerals make the Zn3-x,Fex(AsO4)2·8H2O solid-solution and belongs to the vivianite group of minerals with the chemical formula M3(TO4)2·8H2O. The structure of vivianite and symplesite were determined firstly by Mori and Ito, (1950). The structure of kottigite was refined by Hill, (1979). The strucrure of Zn1.63Fe1.37(AsO4)2·8H2O solid-solution crystallize in space group C2/m with a= 10.342(1), b= 13.484(2), c= 4.7756(5), [beta]=105. 306(4), and Z=2. We performed the structure refinements of (Zn,Fe)3(AsO4)2·8H2O solid-solutions, Ojuela mine, Mapimi Durango, Mexico and Kiura mine, Ohita, Japan by RIGAKU single-crystal structure analysis system RAPID. The R and S values are around 0.03 and 1.08. We determined detail atomic coordinate and hydrogen atom positions. The hydrogen bonds were revealed based on hydrogen positions and bond valence caluculations. The octahedral edge-shareing M2O6(H2O)4 dimers and insular MO2(H2O)4 octahedra are linked by AsO4 terahedra. Two H2O group bonds to (Zn,Fe). Four hydrogen atoms are in the normal hydrogen bonds. Hydrogen atom positions have a tunnel structure and there is a path of proton-conduction and we conjecture that proton conductivity has large anisotropy of one direction. The related minerals, such as paradamite, legrandite and warikahnite have tunnel structure similar to vivianite group.

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A variable-temperature single-crystal X-ray diffraction study of a synthetic BaTiO3 perovskite has been performed over the temperature range 298-778 K.

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Acta Cryst. (2011). A67, C584-C585
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Acta Cryst. (2008). A64, C492
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A new strontium germanate, SrGe2O5, was crystallized at 6 GPa and 1223 K. The effect of cation size on the crystal structure is discussed in terms of bonding nature.

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Acta Cryst. (2011). A67, C574-C575
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The structure of the vanadate garnet Ca2NaMg2V3O12 is characterized by (Ca,Na)O8 dodecahedra and MgO6 octahedra with unusually long shared edges.

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The high-pressure phase of SrGeO3 synthesized at 6 GPa and 1223 K adopts the ideal cubic perovskite-type structure. The Ge-O bond is largely covalent, which influences the thermal vibration behavior of the O atom.


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SrCoO2.64 crystallizes with a cubic perovskite-type structure. The displacement ellipsoids of the O atoms show large anisotropy in a direction perpendicular to that of the Co-O bonds.

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Single crystals of CaIrO3 were grown from a CaCl2 flux at atmospheric pressure and crystallized with the post-perovskite type of structure. The crystal structure is reinvestigated on the basis of single-crystal X-ray diffraction data measured using a high-power X-ray source, and the atomic thermal vibration behavior is discussed in terms of the coordination environments.

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Investigation of the cation distributions in Y3Al5-xGaxO12 (0 [less-than or equal to] x [less-than or equal to] 5) garnet solid solutions using single-crystal X-ray diffraction shows that Ga3+, which is larger than Al3+, preferentially occupies the tetrahedral site rather than the octahedral site, contrary to the effect of cation size. This peculiar cation distribution is most probably caused by both the strong covalency of the Ga-O bond and the need to decrease the neighbouring cation-cation repulsive force.

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Using a large volume high pressure apparatus, quartz-type crystalline GeO2 and Li2O-4GeO2 glass have been compressed up to 14 GPa at room temperature and their local structural changes have been investigated by an in-situ XAFS method. In quartz-type crystalline GeO2, the change of the coordination number from 4 to 6 begins above 8 GPa and finishes below 12 GPa. On decompression, reversal transition begins below 8 GPa and there is a large hysteresis. Almost no sixfold coordination of Ge is preserved after releasing pressure. Change of coordination number in vitreous Li2O-4GeO2 begins above 6 GPa and is completed below 10 GPa. Reversal transition begins below 10 GPa and the hysteresis is smaller than that of quartz-type GeO2. Change of coordination number in vitreous Li2O-4GeO2 is also reversal.

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The temperature dependence of EXAFS Debye-Waller factors and anharmonic effective pair potentials of group VIII and Ib fcc metals were investigated by a cumulant expansion method. The EXAFS spectra near K- or L3-edges were measured at the temperatures from 30 to 800 K using synchrotron radiation from the Photon Factory, Tsukuba. The effective pair potentials, au2/2! + bu3/3! denote that the group Ib has obviously larger anharmonicity than the group VIII metals. The discrepancy between the Morse potential approximation and determined effective pair potential is discussed.

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Acta Cryst. (2005). A61, c374
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The valence-difference contrast method with X-ray near Fe K-edge was used to determine the cation distribution of Ti0.31Fe2.69O4. Anomalous scattering factors were also experimentally determined in the analysis.


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