Crystal structures of alkali-metal indium (iii) phosphates of [m3in(po4)(2)](n) (m = k, n=10; m= rb, n=2) compounds, and band structures and chemical bond properties of [rb3in(po4)(2)](2) crystal
文献类型：期刊论文
| 作者 | Zhang, YC; Cheng, WD; Wu, DS; Zhang, H; Chen, DG; Gong, YJ; Kan, ZG; Zhu, J |
| 刊名 | Journal of solid state chemistry
 |
| 出版日期 | 2006 |
| 卷号 | 179期号:1页码:186-194 |
| 关键词 | Phosphate Crystal structure Band structure Dft method |
| ISSN号 | 0022-4596 |
| DOI | 10.1016/j.jssc.2005.09.050 |
| 通讯作者 | Cheng, wd(cwd@ms.fjirsm.ac.cn) |
| 英文摘要 | Ternary indium (iii) phosphates with three-dimensional frameworks, [m3in(po4)(2)](n), (m = k, n = 10; m = rb, n = 2), are found and firstly reported in this paper. these compounds have been obtained by high temperature solid-state reactions and their crystal structures have been determined by single crystal x-ray diffraction analysis. the title compounds, which crystallize in monoclinic system, possess the same [in(po4)(2)](n)(3n-) anionic frameworks built up from interconnected ino6 octahedra and po4 tetrahedra and have an interesting tunnel structure where m+ cations are located. optical and bonding properties of [rb3in(po4)(2)](2) are investigated in terms of measured absorption and emission spectra, and calculated band structures and density of states. the crystal band structures obtained by the dft method show that the solid compound of [rb3in(po4)(2)](2) is an insulator with direct band gap, and the p-o covalent bond characters are larger than the in-o ones in this compound. (c) 2005 elsevier inc. all rights reserved. |
| WOS关键词 | HYDROTHERMAL SYNTHESIS ; IONIC-CONDUCTIVITY ; ELECTRICAL-PROPERTIES ; TITANIUM PHOSPHATES ; OPTICAL-PROPERTIES ; NASICON ; ELECTROLYTE ; CATIONS ; SODIUM ; OXIDE |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Inorganic & Nuclear ; Chemistry, Physical |
| 语种 | 英语 |
| WOS记录号 | WOS:000234807500026 |
| 出版者 | ACADEMIC PRESS INC ELSEVIER SCIENCE |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2379690 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Cheng, WD |
| 作者单位 | Chinese Acad Sci, Grad Sch, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, YC,Cheng, WD,Wu, DS,et al. Crystal structures of alkali-metal indium (iii) phosphates of [m3in(po4)(2)](n) (m = k, n=10; m= rb, n=2) compounds, and band structures and chemical bond properties of [rb3in(po4)(2)](2) crystal[J]. Journal of solid state chemistry,2006,179(1):186-194. |
| APA | Zhang, YC.,Cheng, WD.,Wu, DS.,Zhang, H.,Chen, DG.,...&Zhu, J.(2006).Crystal structures of alkali-metal indium (iii) phosphates of [m3in(po4)(2)](n) (m = k, n=10; m= rb, n=2) compounds, and band structures and chemical bond properties of [rb3in(po4)(2)](2) crystal.Journal of solid state chemistry,179(1),186-194. |
| MLA | Zhang, YC,et al."Crystal structures of alkali-metal indium (iii) phosphates of [m3in(po4)(2)](n) (m = k, n=10; m= rb, n=2) compounds, and band structures and chemical bond properties of [rb3in(po4)(2)](2) crystal".Journal of solid state chemistry 179.1(2006):186-194. |
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