第5卷‧第3期,
198107
, pp. 257-262
粉末繞射譜型之標定
- 作者:
莊美琛; 王瑜
- 作者服務機構:
國立臺灣大學化學系
- 中文摘要:
一用以標定所測之粉末繞射譜型,並可以進一步以最小平方法精算單位晶格參數之計算機福傳程式已被發展,此程式包括(1)依試樣之晶系有效地求出一組不重複的指數,(2)改變單位晶格之參數以減少所觀察譜型與計算譜型之差,一Eu5Bi3及一ZSM-5型沸石試樣,依此程式已得到成功的結果,文中並討論用於最小平方法中之數種比重法。
- 英文摘要:
A.FORTRAN computer program is developed locally to index a measured powder diffraction patternand further to refine the cell parameters by a least-square process. It involves (1) efficiently generating aunique set of indices according to the crystal system that the sample belongs to, (2) minimizing the differ-ences between the observed pattern and the calculated pattern by varying the cell parameters. An Eu5Bi3and a zeolite (ZSM-5 type) sample were tried with successful results. Various weighting schemes used duringthe least-square process are discussed.
- 中文關鍵字:
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- 英文關鍵字:
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