Application of a New Method for the Determination of Accurate Intensities from Powder Diffraction Data. Crystal Structure Determination of Fibrillar Silver Trimolybdate

✍ Scribed by W. Lasocha; J. Jansen; H. Schenk

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 172 KB
• Volume: 109
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1994.1062

✦ Synopsis

A new approach for the determination of accurate intensities from powder diffraction data has been successfully applied to a sample of fibrillar silver trimolybdate (\mathrm{Ag}{2} \mathrm{O} \cdot 3 \mathrm{MoO}{3} \cdot 1.8 \mathrm{H}{2} \mathrm{O}). At the beginning the pattern decomposition program could find only 30 nonoverlapping reflections, but after a few cycles of the "intensity estimating" procedure a set of 130 "unique" intensities was obtained. This set was sufficient to solve the phase problem both by the direct method and Patterson programs. The final Rietveld method refined to (R{\mathrm{f}}=14.1 %) and (R_{\mathrm{wp}}=20.4 %). Space group Pnma; (a=13.201(10), b=7.577(6), c=9.757(7) \AA, Z=4). (1) 1994 Acaderic Press, Inc.