A new approach to extract reliable intensities of non-equivalent systematical overlapping reflections from powder diffraction data
文献类型：期刊论文
| 作者 | H. W. Ma ; J. K. Liang |
| 刊名 | Acta Physica Sinica
 |
| 出版日期 | 2004 |
| 卷号 | 53期号:3页码:829-834 |
| 关键词 | nonequivalent systematical overlapping reflections diffraction intensity IDM-UAIC abinitio structure determination x-ray-diffraction crystal-structures refinement |
| ISSN号 | 1000-3290 |
| 中文摘要 | A new approach to extract reliable intensities from systematical non-equivalent overlapping reflections has been proposed and tested by simulated powder diffraction pattern of known structures. By using both crystallographic and structural chemistry knowledge, the IDM-UAIC reconstructs the intensities and solves the structure through an iterative procedure. The results show that IDM-UAIC succeeds when more than 30% of the total scattering power can be located in a reasonable precise from the equivalent systematical overlapping reflections. The IDM-UAIC procedure is superior to the simple equi-partition methods for the nonequivalent systematical overlapping reflections while it is equivalent to simple equi-partition methods for the equivalent systematical overlapping reflections. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35494]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | H. W. Ma,J. K. Liang. A new approach to extract reliable intensities of non-equivalent systematical overlapping reflections from powder diffraction data[J]. Acta Physica Sinica,2004,53(3):829-834. |
| APA | H. W. Ma,&J. K. Liang.(2004).A new approach to extract reliable intensities of non-equivalent systematical overlapping reflections from powder diffraction data.Acta Physica Sinica,53(3),829-834. |
| MLA | H. W. Ma,et al."A new approach to extract reliable intensities of non-equivalent systematical overlapping reflections from powder diffraction data".Acta Physica Sinica 53.3(2004):829-834. |
入库方式： OAI收割
来源：金属研究所
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