Ab initio structure determination of a new compound, beta-SrGaBO4, from powder X-ray diffraction data

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	Ab initio structure determination of a new compound, beta-SrGaBO4, from powder X-ray diffraction data
	Z. Yang; J. K. Liang; X. L. Chen; J. R. Chen
	2002
发表期刊	Journal of Solid State Chemistry
ISSN	0022-4596
卷号	165 期号:1 页码:119-124
摘要	A new compound, beta-SrGaBO4, has been attained through solid phase transition from alpha-SrGaBO4 at high temperatures. Its crystal structure has been determined from powder X-ray diffraction data by direct methods. The refinement was carried out using the Rietveld method and the final refinement converged with Rp = 11.42 % and Rwp = 15.16 %. It has an orthorhombic P2(1)2(1)2 space group with cell parameters a = 15.3706(2) Angstrom b = 8.992 1 (1) Angstrom, c = 5.919 1 (1) A, and Z = 8. The structure of beta-SrGaBO4 is built up from Ga2BO8 units formed by two GaO4 tetrahedra and one BO3 triangle, and Sr2O12 units formed by two SrO7 groups. Tetrahedra [GaO4] are linked by shared O(3) and O(7) atoms to form infinite chains along the e axis. (C) 2002 Elsevier Science, (USA).
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. yunnam normal univ, dept chem, kunming 650092, peoples r china. acad sinica, int ctr mat phys, shenyang 110015, peoples r china.;yang, z (reprint author), chinese acad sci, inst phys, pob 603, beijing 100080, peoples r china
关键词	Beta-srgabo4 Borate Structure Determination X-ray Powder Diffraction Crystal-structure
URL	查看原文
WOS记录号	WOS:000175169200017
引用统计	被引频次：13[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/321006/36497
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. Yang,J. K. Liang,X. L. Chen,et al. Ab initio structure determination of a new compound, beta-SrGaBO4, from powder X-ray diffraction data[J]. Journal of Solid State Chemistry,2002,165(1):119-124.
APA	Z. Yang,J. K. Liang,X. L. Chen,&J. R. Chen.(2002).Ab initio structure determination of a new compound, beta-SrGaBO4, from powder X-ray diffraction data.Journal of Solid State Chemistry,165(1),119-124.
MLA	Z. Yang,et al."Ab initio structure determination of a new compound, beta-SrGaBO4, from powder X-ray diffraction data".Journal of Solid State Chemistry 165.1(2002):119-124.