Comparative analysis of the difference of local structure between EPR theory and X-ray diffraction experiment for NiSiF(6)center dot 6H(2)O crystal
文献类型：期刊论文
| 作者 | H. Q. Wang ; X. Y. Kuang ; H. F. Li ; A. J. Mao |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2009 |
| 卷号 | 468期号:1-2页码:40914 |
| 关键词 | Local structure Complete energy matrices EPR theory X-ray diffraction experiment NiSiF(6)center dot 6H(2)O crystal electron-paramagnetic-resonance nickel fluosilicate magnetic-resonance optical absorption field pressure cobalt fe-3+ zinc ion |
| ISSN号 | 0925-8388 |
| 中文摘要 | The local structure for NiSiF(6)center dot 6H(2)O crystal has been investigated by diagonalizing the complete energy matrices, By simulating the EPR and optical spectra, the local structure parameter theta(0) = 54.8901 is determined at room temperature and is different from theta(0)' = 55.0899 obtained by X-ray diffraction experiment, suggesting that: (i) the H(+) ions lead to a deviation of the equivalent position of effective charge of H(2)O molecule from O(2) ion, (ii) the neighboring [siF(6)](2) octahedral clusters lead to a deflection of the H(2)O molecules towards them. The deviation angle Delta theta(0) = -0.1999 is reported for file first time. Furthermore, the local structure NiSiF(6)center dot 6H(2)O crystal has been determined it 4.2 and 77 K. (c) 2007 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32353]  |
| 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. Q. Wang,X. Y. Kuang,H. F. Li,et al. Comparative analysis of the difference of local structure between EPR theory and X-ray diffraction experiment for NiSiF(6)center dot 6H(2)O crystal[J]. Journal of Alloys and Compounds,2009,468(1-2):40914. |
| APA | H. Q. Wang,X. Y. Kuang,H. F. Li,&A. J. Mao.(2009).Comparative analysis of the difference of local structure between EPR theory and X-ray diffraction experiment for NiSiF(6)center dot 6H(2)O crystal.Journal of Alloys and Compounds,468(1-2),40914. |
| MLA | H. Q. Wang,et al."Comparative analysis of the difference of local structure between EPR theory and X-ray diffraction experiment for NiSiF(6)center dot 6H(2)O crystal".Journal of Alloys and Compounds 468.1-2(2009):40914. |
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来源：金属研究所
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