Ab initio structure determination of new compound Ba-3(BO3)(PO4)
文献类型：期刊论文
| 作者 | Ma, HW ; Liang, JK ; Wu, L ; Liu, GY ; Rao, GH ; Chen, XL |
| 刊名 | JOURNAL OF SOLID STATE CHEMISTRY
 |
| 出版日期 | 2004 |
| 卷号 | 177期号:10页码:3454 |
| 关键词 | VOM TYPUS 2MEO.X2O5.B2O3 CRYSTAL-STRUCTURE PHOSPHIDE BORATE BOROPHOSPHATE |
| ISSN号 | 0022-4596 |
| 通讯作者 | Ma, HW: Chinese Acad Sci, Inst Phys, 8,3rd South St,Zhongguancun, Beijing 100080, Peoples R China. |
| 中文摘要 | The crystal structure of new compound Ba3BPO7 was determined by ab initio method from high-resolution conventional X-ray powder diffraction data. The Rietveld refinement converged to R-p = 5.92%, R-wp = 8.87%, R-exp = 5.00% with the following details: Hexagonal, space group P6(3)mc, a = 5.4898 (1) Angstrom, c = 14.7551 (1) Angstrom, Z = 2. The basic unit of the structure is the [BaO10]-[BO3]-[PO4] polar polyhedra-chain composed of Ba1-B-P-O cluster. These chains, running along c-axis, stack in a HCP mode to build the whole structure wish triangular prism channels. The channels are parallel to c-axis too, in which Ba2 and Ba3 are located. (C) 2004 Elsevier Inc. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33383]  |
| 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 | Ma, HW,Liang, JK,Wu, L,et al. Ab initio structure determination of new compound Ba-3(BO3)(PO4)[J]. JOURNAL OF SOLID STATE CHEMISTRY,2004,177(10):3454. |
| APA | Ma, HW,Liang, JK,Wu, L,Liu, GY,Rao, GH,&Chen, XL.(2004).Ab initio structure determination of new compound Ba-3(BO3)(PO4).JOURNAL OF SOLID STATE CHEMISTRY,177(10),3454. |
| MLA | Ma, HW,et al."Ab initio structure determination of new compound Ba-3(BO3)(PO4)".JOURNAL OF SOLID STATE CHEMISTRY 177.10(2004):3454. |
入库方式： OAI收割
来源：物理研究所
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