Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)(3) (M = K, Rb, Cs) | |
Abudoureheman, M (Abudoureheman, Maierhaba)1; Han, SJ (Han, Shujuan)1; Dong, XY (Dong, Xiaoyu)1; Lei, BH (Lei, Bing-Hua)1; Wang, Y (Wang, Ying)1; Yang, ZH (Yang, Zhihua)1![]() ![]() | |
刊名 | JOURNAL OF ALLOYS AND COMPOUNDS
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2017 | |
卷号 | 690期号:1页码:330-336 |
关键词 | Apatite-type Phosphates Borates Substitution Dft Methods |
ISSN号 | 0925-8388 |
DOI | 10.1016/j.jallcom.2016.08.115 |
英文摘要 | Three phosphates MPb4(PO4)(3) (M = K, Rb, Cs) have been synthesized by the high temperature melt method. The single-crystal X-ray structural analyses reveal that all of them belong to apatite-type phases and crystallize in the same space group, P6(3)/m (no. 176). They exhibit a three dimensional (3D) structure that is composed of two kinds of channels constructed by [Pb(1)O-6] and (PO4]. And the [Pb(2)vertical bar K(1)] [Pb(2)vertical bar Rb(1)1, [Pb(2)vertical bar Cs(1)]) atoms are located in the small channels. Detailed structural comparison indicates that the cations effect on the framework geometry is less obvious among the title compounds and the reported lead apatite-type phosphates, however, although MPb4(PO4)(3) (M = K, Rb, Cs) have the similar stoichiometry with MM'(4)(BO3)(3), the different coordination of the B and P atoms, as well as the cations effect make MPb4(PO4)(3) and MM'(4)(BO3)(3) crystallize in various space groups. The IR spectra were used to verify the validity of their structure. The TG-DSC analysis results indicate that KPb4(PO4)(3) and RbPb4(PO4)(3) melt congruently. The UV-Vis-NIR diffuse reflectance spectra indicate that they have no obvious absorption from 300 to 2500 nm. Optical properties as well as band structure calculations have been also performed based on density functional theory methods. |
WOS记录号 | WOS:000385901300044 |
内容类型 | 期刊论文 |
源URL | [http://ir.xjipc.cas.cn/handle/365002/4918] ![]() |
专题 | 新疆理化技术研究所_中国科学院特殊环境功能材料与器件重点试验室 新疆理化技术研究所_材料物理与化学研究室 |
通讯作者 | Han, SJ (Han, Shujuan); Long, XF (Long, Xifa); Pan, SL (Pan, Shilie) |
作者单位 | 1.Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Xinjiang Key Lab Elect Informat Mat & Devices, Xinjiang Tech Inst Phys & Chem, 4071 South Beijing Rd, Urumqi 830011, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
推荐引用方式 GB/T 7714 | Abudoureheman, M ,Han, SJ ,Dong, XY ,et al. Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)(3) (M = K, Rb, Cs)[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2017,690(1):330-336. |
APA | Abudoureheman, M .,Han, SJ .,Dong, XY .,Lei, BH .,Wang, Y .,...&Pan, SL .(2017).Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)(3) (M = K, Rb, Cs).JOURNAL OF ALLOYS AND COMPOUNDS,690(1),330-336. |
MLA | Abudoureheman, M ,et al."Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)(3) (M = K, Rb, Cs)".JOURNAL OF ALLOYS AND COMPOUNDS 690.1(2017):330-336. |
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