Reinvestigation and Characterization of the Magnesium Borate Fluoride Mg-5(BO3)F
Bai, Chunyan; Han, Shujuan; Pan, Shilie; Bian, Qiang; Yang, Zhihua; Zhang, Xingwen; Lin, Xiaoxia; Jing, Qun
2014
发表期刊ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
ISSN0044-2313
卷号640期号:10页码:2013-2018
摘要The magnesium borate fluoride Mg-5(BO3)(3)F was grown by spontaneous crystallization with molten flux based on the MgF2-LiF-Na2CO3-H3BO3 solvent. Structure solution from single-crystal X-ray diffraction shows that the title compound crystallizes in the orthorhombic space group Pnma (No. 62) with cell dimensions of a = 10.068(5) angstrom, b = 14.858(7) angstrom, c = 4.540(2) angstrom and Z = 4. Its structure features a three-dimensional (3D) Mg-O-F framework composed of MgO5F and MgO6 polyhedra and isolated BO3 groups. The detailed structure comparison referred to Mg-5(BO3)(3)F, Mg3BO3F3 and beta-Mg2BO3F was carried out. The infrared spectrum (IR) and the bond valence sum (BVS) calculations of Mg-5(BO3)(3)F verify the validity of the structure. The calculated band structure and the density of states of Mg-5(BO3)(3)F suggest that its indirect bandgap is 5.27 eV. The compound was additionally investigated by UV/ Vis-NIR diffuse reflectance spectroscopy and thermal analysis.
关键词Mg-5(Bo3)(3)f Magnesium Boron Fluorine Crystal Structure Diffuse Reflectance Spectroscopy
DOI10.1002/zaac.201400244
收录类别SCI
WOS记录号WOS:000340900200023
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被引频次:3[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/3753
专题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
作者单位Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China
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Bai, Chunyan,Han, Shujuan,Pan, Shilie,et al. Reinvestigation and Characterization of the Magnesium Borate Fluoride Mg-5(BO3)F[J]. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE,2014,640(10):2013-2018.
APA Bai, Chunyan.,Han, Shujuan.,Pan, Shilie.,Bian, Qiang.,Yang, Zhihua.,...&Jing, Qun.(2014).Reinvestigation and Characterization of the Magnesium Borate Fluoride Mg-5(BO3)F.ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE,640(10),2013-2018.
MLA Bai, Chunyan,et al."Reinvestigation and Characterization of the Magnesium Borate Fluoride Mg-5(BO3)F".ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE 640.10(2014):2013-2018.
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