Crystal structure, energy band and optical properties of phosphate in(po3)(3)
文献类型：期刊论文
| 作者 | Kan, ZG; Cheng, WD; Wu, DS; Zhang, H; Gong, YJ; Zhu, J; Tong, HN |
| 刊名 | Chinese journal of structural chemistry
 |
| 出版日期 | 2005 |
| 卷号 | 24期号:12页码:1468-1475 |
| 关键词 | Crystal structure Energy band Optical properties |
| ISSN号 | 0254-5861 |
| 通讯作者 | Cheng, wd() |
| 英文摘要 | The crystal of the title compound (inp3o9, m-r. = 351.73) has been prepared and structurally determined by x-ray single-crystal diffraction. it crystallizes in the monoclinic system, space group cc with a = 13.545(6), b = 19.603(7), c = 9.672(4) angstrom,beta = 127.196(4)degrees, v = 2045.6(14) angstrom(3) and z = 12. the compound, with a three-fold superstructure, has two kinds of infinite chains of po4 tetrahedra along the c axis. the absorption and luminescence spectra of in(po3)(3) powder have been measured. the calculated results of crystal energy band structure by dft indicate that the solid state is kind of insulator. what is more, the bonding and optical properties were also investigated with the castep code. |
| WOS关键词 | TRIS(METAPHOSPHATE) ; REFINEMENT ; SUPERSTRUCTURE |
| WOS研究方向 | Chemistry ; Crystallography |
| WOS类目 | Chemistry, Inorganic & Nuclear ; Crystallography |
| 语种 | 英语 |
| WOS记录号 | WOS:000234340400020 |
| 出版者 | CHINESE JOURNAL STRUCTURAL CHEMISTRY |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2377725 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Cheng, WD |
| 作者单位 | 1.Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fujian 350002, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Kan, ZG,Cheng, WD,Wu, DS,et al. Crystal structure, energy band and optical properties of phosphate in(po3)(3)[J]. Chinese journal of structural chemistry,2005,24(12):1468-1475. |
| APA | Kan, ZG.,Cheng, WD.,Wu, DS.,Zhang, H.,Gong, YJ.,...&Tong, HN.(2005).Crystal structure, energy band and optical properties of phosphate in(po3)(3).Chinese journal of structural chemistry,24(12),1468-1475. |
| MLA | Kan, ZG,et al."Crystal structure, energy band and optical properties of phosphate in(po3)(3)".Chinese journal of structural chemistry 24.12(2005):1468-1475. |
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来源：中国科学院大学
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