Hygroscopic La[B5O8(OH)]NO3·2H 2O: Insight into the evolution of borate fundamental building blocks

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	Hygroscopic La[B5O8(OH)]NO3·2H 2O: Insight into the evolution of borate fundamental building blocks
	Zhao, Biao-Chun ; Sun, Wei ; Ren, Wei-Jian ; Huang, Ya-Xi ; Li, Zucheng ; Pan, Yuanming ; Mi, Jin-Xiao ; Huang YX(黄雅熙) ; Mi JX(宓锦校)
刊名	http://dx.doi.org/10.1016/j.jssc.2013.07.032
	2013
关键词	Calculations Crystal structure Molecular dynamics Thermoanalysis X ray diffraction
英文摘要	Borates have exceptionally diverse fundamental building blocks (FBBs), but factors controlling the formation of borate FBBs are poorly understood. The title compound La[B5O8(OH)]NO3·2H 2O crystallizes in the space group P21/n with a=6.5396(12) A, b=15.550(3) A, c=10.6719(19) A, β=90.44(1) and Z=4 at 173(2) K. Its structure has been refined from single-crystal X-ray diffraction data to R1=0.049 (for 2465) and wR2=0.173 (for 2459 I>2σ(I)). This structure analysis and first-principles calculations show that the change of the FBB from 3Δ2 in the title compound to 2Δ3 in La[B5O8(OH)(H2O)]NO 3·2H2O is accompanied by a rotation of the NO 3 group. FTIR, Rietveld and thermal analysis results show that the hygroscopic title compound is partially changed to La[B5O 8(OH)(H2O)]NO3·2H2O, with the conversion of [BO3] to [BO3(H2O)] by water absorption. ? 2013 Elsevier Inc.
语种	英语
出版者	Academic Press Inc.
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/87314]
专题	材料学院－已发表论文
推荐引用方式 GB/T 7714	Zhao, Biao-Chun,Sun, Wei,Ren, Wei-Jian,et al. Hygroscopic La[B5O8(OH)]NO3·2H 2O: Insight into the evolution of borate fundamental building blocks[J]. http://dx.doi.org/10.1016/j.jssc.2013.07.032,2013.
APA	Zhao, Biao-Chun.,Sun, Wei.,Ren, Wei-Jian.,Huang, Ya-Xi.,Li, Zucheng.,...&宓锦校.(2013).Hygroscopic La[B5O8(OH)]NO3·2H 2O: Insight into the evolution of borate fundamental building blocks.http://dx.doi.org/10.1016/j.jssc.2013.07.032.
MLA	Zhao, Biao-Chun,et al."Hygroscopic La[B5O8(OH)]NO3·2H 2O: Insight into the evolution of borate fundamental building blocks".http://dx.doi.org/10.1016/j.jssc.2013.07.032 (2013).