Unknown crystal structure determination from X-ray powder diffraction data

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	Unknown crystal structure determination from X-ray powder diffraction data
	Y. Shi; J. K. Liang; Q. L. Liu; X. L. Chen
	1998
发表期刊	Science in China Series a-Mathematics Physics Astronomy
ISSN	1006-9283
卷号	41 期号:2 页码:191-197
摘要	The crystal structure of new compound Ba3BPO7 has been solved by X-ray powder diffraction technique. As a new structure type, the positions of barium, boron and phosphate atoms have been determined by single crystal direct method after profile decomposition from Ba3BPO7 X-ray powder diffraction patterns. The positions of oxygen atoms have been determined by the interpretation of their vibration spectra which indicate that in this crystal the boron and phosphorus atoms form BO3 and PO4 polyhedra. The structure has been refined by Rietveld technique based on the above model.
部门归属	chinese acad sci, inst phys, beijing 100080, peoples r china. chinese acad sci, ctr condensed matter phys, beijing 100080, peoples r china. acad sinica, int ctr mat phys, shenyang 110015, peoples r china.;shi, y (reprint author), chinese acad sci, inst phys, pob 603, beijing 100080, peoples r china
关键词	X-ray Powder Diffraction Crystal Structure Profile Decomposition Rietveld Refinement Vibrational-spectra
URL	查看原文
WOS记录号	WOS:000071614800010
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/37771
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. Shi,J. K. Liang,Q. L. Liu,et al. Unknown crystal structure determination from X-ray powder diffraction data[J]. Science in China Series a-Mathematics Physics Astronomy,1998,41(2):191-197.
APA	Y. Shi,J. K. Liang,Q. L. Liu,&X. L. Chen.(1998).Unknown crystal structure determination from X-ray powder diffraction data.Science in China Series a-Mathematics Physics Astronomy,41(2),191-197.
MLA	Y. Shi,et al."Unknown crystal structure determination from X-ray powder diffraction data".Science in China Series a-Mathematics Physics Astronomy 41.2(1998):191-197.