2－6 粉末 X 線構造解析 - gakushuin.ac.jp

1 X VESTA 2-10-1 (Rietveld) FullPlof GSAS JANA RIETAN RIETAN RIETAN-94 RIETAN-2000 version version RIETAN-FP RIETAN-FP RIETAN-FP VENUS Windows Mac OS X Read me Windows MacOSX Jedit X X

2 X X SPring-8 BL02B2 line, BL line4B-2 JRR3 J-PARK , " 11 III ," 5 , , (2006) 4 . " X ," 2 , , , (2009). (KEK) SPring-8 J-PARK JRR-3 Jedit X 2 , , , (2009). 2-10-2 VESTA 2-10-2-1

3 ATOMS, Crystal Maker, Ball and Stick VESTA VESTA Windows, MacOS, Linux OS 20 2-10-2-2 VESTA Web JP-Mineral Software/VESTA Window MacOS Program files Applications 2-10-2-3 a) cif(Crystallographic information file) ICSD(Inorganic Crystal Structure Database) CSD(Cambridge Structural Database) cif Actacrystallogaraphica b) /File/New structure 1 (a) (b) (c)

4 Atom Number Symbol x, y, z, g, B Label Add OK 1. c) cif /File/Open Import data cif VESTA cif /Edit/Structure Space-group Symmetry Setting (d) update structure parameters (e) 2-10-2-4 ( 2) VESTA 5 polyhedral /Edit/Bonds A1 A2 Add /Object/Structure/Model/Polyhedral Structure Model Style Polyhedral Modify 2-10-2-5 X VESTA RIETAN-FP X RIETAN-FP web /Utilities/Powder

5 Diffraction Pattern RIETAN-FP *.itx *.itx IGOR Pro IGOR Pro 2. VESTA EXCEL VESTA RIETAN-FP X 2 , , (2009).