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; Long, XF (Long, Xifa)1; Pan, SL (Pan, Shilie)1
2017
Source PublicationJOURNAL OF ALLOYS AND COMPOUNDS
ISSN0925-8388
Volume690Issue:1Pages:330-336
Abstract

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.

KeywordApatite-type Phosphates Borates Substitution Dft Methods
DOI10.1016/j.jallcom.2016.08.115
Indexed BySCI
WOS IDWOS:000385901300044
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4918
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Corresponding AuthorHan, SJ (Han, Shujuan); Long, XF (Long, Xifa); Pan, SL (Pan, Shilie)
Affiliation1.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
Recommended Citation
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.
Files in This Item:
File Name/Size DocType Version Access License
Syntheses, character(1428KB)期刊论文作者接受稿开放获取CC BY-NC-SAView Application Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Abudoureheman, M (Abudoureheman, Maierhaba)]'s Articles
[Han, SJ (Han, Shujuan)]'s Articles
[Dong, XY (Dong, Xiaoyu)]'s Articles
Baidu academic
Similar articles in Baidu academic
[Abudoureheman, M (Abudoureheman, Maierhaba)]'s Articles
[Han, SJ (Han, Shujuan)]'s Articles
[Dong, XY (Dong, Xiaoyu)]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Abudoureheman, M (Abudoureheman, Maierhaba)]'s Articles
[Han, SJ (Han, Shujuan)]'s Articles
[Dong, XY (Dong, Xiaoyu)]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)(3) (M = K, Rb, Cs).pdf
Format: Adobe PDF
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.