Synthesis, crystal structure, and optical properties of a new lead barium borate, PbBa2(B3O6)(2)
Li, Hongyi; Dong, Lingyun; Lu, Yi; Pan, Shilie; Lu, Xiaoquan; Yu, Hongwei; Wu, Hongping; Su, Xin; Yang, Zhihua
2014
Source PublicationJournal of Alloys and Compounds
ISSN0925-8388
Volume615Issue:12Pages:561-565
Abstract

A new lead barium borate, PbBa2(B3O6) 2, has been synthesized by the standard solid-state reaction at temperature in the range 700-750 °C. The crystal structure has been determined by single crystal X-ray diffraction. PbBa2(B 3O6)2 crystallizes in the rhombohedral space group R3¯ with unit cell a = 7.2056(8) A˚, c = 18.752(6) A˚, and Z = 3. The nearly planar B3O6 groups serve as the fundamental building units, which are distributed layer upon layer perpendicular to the c axis. Regular PbO6 octahedra and irregular BaO9 polyhedra alternately locate between the B3O6 layers. DSC curve and the powder X-ray diffraction pattern of melted PbBa2(B 3O6)2 illustrate that PbBa2(B 3O6)2 melts incongruently. The IR spectrum further proves the presence of BO3 groups. The calculated band structures of PbBa2(B3O6)2 and the density of states have also been investigated.

KeywordCrystal Structure Solid-state Reaction Pbba2(B3o6)(2) X-ray Diffraction
DOI10.1016/j.jallcom.2014.06.187
Indexed BySCI
WOS IDWOS:000342245700087
Citation statistics
Cited Times:10[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/3732
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
Affiliation1.Qual Prod Supervis & Inspect Inst Technol, Urumqi 830011, Peoples R China
2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Beijing Univ Chem Technol, Coll Sci, Beijing 100029, Peoples R China
Recommended Citation
GB/T 7714
Li, Hongyi,Dong, Lingyun,Lu, Yi,et al. Synthesis, crystal structure, and optical properties of a new lead barium borate, PbBa2(B3O6)(2)[J]. Journal of Alloys and Compounds,2014,615(12):561-565.
APA Li, Hongyi.,Dong, Lingyun.,Lu, Yi.,Pan, Shilie.,Lu, Xiaoquan.,...&Yang, Zhihua.(2014).Synthesis, crystal structure, and optical properties of a new lead barium borate, PbBa2(B3O6)(2).Journal of Alloys and Compounds,615(12),561-565.
MLA Li, Hongyi,et al."Synthesis, crystal structure, and optical properties of a new lead barium borate, PbBa2(B3O6)(2)".Journal of Alloys and Compounds 615.12(2014):561-565.
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