Ab initio structure determination of new compound LiAlB2O5
文献类型：期刊论文
| 作者 | He, M ; Chen, XL ; Lan, YC ; Li, H ; Xu, YP |
| 刊名 | JOURNAL OF SOLID STATE CHEMISTRY
 |
| 出版日期 | 2001 |
| 卷号 | 156期号:1页码:181 |
| 关键词 | NONLINEAR-OPTICAL CRYSTAL POWDER DIFFRACTION PATTERNS LIB3O5 |
| ISSN号 | 0022-4596 |
| 通讯作者 | Chen, XL: Chinese Acad Sci, Inst Phys, POB 603, Beijing 100080, Peoples R China. |
| 中文摘要 | A new compound LiAlB2O5 has been synthesized by solid-state reaction and its structure has been solved ab initio from X-ray powder diffraction data. The structure determination was based on direct methods combined with difference-Fourier techniques and the refinement was carried out using the Rietveld method. The final refinement converged with R-p = 6.95%, R-wp = 9.43%, R-exp = 3.93%. This compound belongs to the monoclinic space group C2/c, with lattices parameters a = 9.9096(1) Angstrom, b = 10.0634(1) Angstrom, c = 9.3552(1) Angstrom, and beta = 120.0681(3). There are eight molecules per unit cell and 10 atoms in the asymmetric unit. The structure of LiAlB2O5 exhibits some similarities to that of LiB3O5. Structural units found in LiAlB2O5, [B2AlO7](5-) groups, can be described as [B3O7](-5) with the tetra-coordinated B replaced by an Al atom, which may possess higher second-order microscopic susceptibility than [B3O7](5-). (C) 2001 Academic Press. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33385]  |
| 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 | He, M,Chen, XL,Lan, YC,et al. Ab initio structure determination of new compound LiAlB2O5[J]. JOURNAL OF SOLID STATE CHEMISTRY,2001,156(1):181. |
| APA | He, M,Chen, XL,Lan, YC,Li, H,&Xu, YP.(2001).Ab initio structure determination of new compound LiAlB2O5.JOURNAL OF SOLID STATE CHEMISTRY,156(1),181. |
| MLA | He, M,et al."Ab initio structure determination of new compound LiAlB2O5".JOURNAL OF SOLID STATE CHEMISTRY 156.1(2001):181. |
入库方式： OAI收割
来源：物理研究所
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