Ab initio structure determination of novel borate NaSrBO3

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	Ab initio structure determination of novel borate NaSrBO3
	Wu, L ; Chen, XL ; Zhang, Y ; Kong, YF ; Xu, JJ ; Xu, YP
刊名	JOURNAL OF SOLID STATE CHEMISTRY
	2006
卷号	179 期号:4 页码:1219
关键词	NONLINEAR-OPTICAL CRYSTAL RAY-POWDER DIFFRACTION REFINEMENT SR BA
ISSN号	0022-4596
通讯作者	Wu, L: Nankai Univ, Key Lab Adv Tech & Fabricat Weak Light Nonlinear, Minist Educ, Tianjin 300457, Peoples R China.
中文摘要	A novel orthoborate, NaSrBO3, has been Successfully synthesized by standard solid-state reaction, and the crystal structure has been determined from powder X-ray diffraction data. It crystallizes in the monoclinic space group P2(1)/c with lattice parameters: a = 5.32446(7) angstrom, b = 9.2684(l) angstrom, 6.06683(8) angstrom, beta = 100.589(l)degrees. The fundamental building units are isolated BO3 groups, which are parallelly distributed along two different directions. Because of the anisotropic polarizations of planar BO3 groups, a considerable birefringence can be expected in it. The Na atoms are six-coordinated with O atoms to form octahedra, and the Sr atoms are nine-coordinated, forming tri-capped trigonal prisms. Those polyhedra connect with each other by bridging-oxygen atoms, forming infinite three-dimensional network, which indicates that the cleaving problem is expected to be overcome during the Course of single-crystal growth. The infrared spectrum has been measured, and the result is consistent with the crystallographic study. Moreover, a comparison of the new structure type with the other known orthoborates is presented here. (c) 2006 Elsevier Inc. All rights reserved.
收录类别	SCI
语种	英语
公开日期	2013-09-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/33386]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Wu, L,Chen, XL,Zhang, Y,et al. Ab initio structure determination of novel borate NaSrBO3[J]. JOURNAL OF SOLID STATE CHEMISTRY,2006,179(4):1219.
APA	Wu, L,Chen, XL,Zhang, Y,Kong, YF,Xu, JJ,&Xu, YP.(2006).Ab initio structure determination of novel borate NaSrBO3.JOURNAL OF SOLID STATE CHEMISTRY,179(4),1219.
MLA	Wu, L,et al."Ab initio structure determination of novel borate NaSrBO3".JOURNAL OF SOLID STATE CHEMISTRY 179.4(2006):1219.