Synthesis,Crystal Structure,and Properties of a New Lead Aluminum Fluoride Borate,Pb6AlB2O7F7 |
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| Authors: | Lingyun Dong Prof Dr Shilie Pan Zhihua Yang Wenwu Zhao Xiaoyu Dong Ying Wang Yineng Huang |
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| Institution: | 1. Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, 40–1 South Beijing Road, Urumqi 830011, P. R. China;2. Graduate School of Chinese Academy of Sciences, Beijing 100049, P. R. China;3. Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics, Yili Normal University, Yining, Xinjiang 835000, P. R. China |
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| Abstract: | A new compound, Pb6AlB2O7F7, was synthesized from the PbF2/B2O3 flux system, which is the first compound found in the PbF2/Al2O3/B2O3 system. It crystallizes in the orthorhombic system, space group Cmca (No. 64) with unit cell parameters a = 11.649(7) Å, b = 18.300(11) Å, c = 6.394(4) Å, Z = 4. The crystal structure of Pb6AlB2O7F7 contains the group Pb6BO11F10] as basal building unit, which connects with each other forming two‐dimensional ∞Pb6BO11F10] layers, whereas aluminum atoms are filled in the interlayers. The IR spectrum further confirms the presence of BO3 groups. The calculated band structures and the density of states of Pb6AlB2O7F7 suggest that its indirect gap is 2.968 eV. The DSC analysis and X‐ray diffraction technique prove that Pb6AlB2O7F7 is a congruent‐melting compound. |
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| Keywords: | Pb6AlB2O7F7 Borates Synthesis Crystal structure |
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