Ab initio structure determination of new compound Ba-3(BO3)(PO4)
文献类型：期刊论文
| 作者 | H. W. Ma ; J. K. Liang ; L. Wu ; G. Y. Liu ; G. H. Rao ; X. L. Chen |
| 刊名 | Journal of Solid State Chemistry
 |
| 出版日期 | 2004 |
| 卷号 | 177期号:10页码:3454-3459 |
| 关键词 | Ba3BPO7 borophosphate structure determinations x-ray powder diffraction vom typus 2meo.x2o5.b2o3 crystal-structure phosphide borate borophosphate |
| ISSN号 | 0022-4596 |
| 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. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35496]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | H. W. Ma,J. K. Liang,L. Wu,et al. Ab initio structure determination of new compound Ba-3(BO3)(PO4)[J]. Journal of Solid State Chemistry,2004,177(10):3454-3459. |
| APA | H. W. Ma,J. K. Liang,L. Wu,G. Y. Liu,G. H. Rao,&X. L. Chen.(2004).Ab initio structure determination of new compound Ba-3(BO3)(PO4).Journal of Solid State Chemistry,177(10),3454-3459. |
| MLA | H. W. Ma,et al."Ab initio structure determination of new compound Ba-3(BO3)(PO4)".Journal of Solid State Chemistry 177.10(2004):3454-3459. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。