Synthesis,crystal structure and optical properties of a new beryllium borate,CsBe4(BO3)3 |
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| Institution: | 1. School of Materials Science and Technology, China University of Geosciences, Beijing 100083, China;2. Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China;3. Graduate University of the Chinese Academy of Sciences, Beijing 100049, China;1. School of Science, National Laboratory of Mineral Materials, China University of Geosciences (Beijing), Beijing 100083, China;2. Research Institute of Petroleum Exploration and Development, PetroChina, Beijing 100083, China;1. School of Materials Science and Technology, China University of Geosciences, Beijing 100083, China;2. Institute of Textile and Clothing, The Hong Kong Polytechnic University, Kowloon, Hong Kong, China;3. Department of Environmental Engineering, Key Laboratory of Water and Sediment Sciences of the Ministry of Education, Peking University, Beijing 100871, China;1. Shandong Provincial Key Laboratory of Fluorine Chemistry and Chemical Materials, University of Jinan, Jinan 250022, China;2. National Laboratory of Mineral Materials, School of Material Science and Technology, China University of Geosciences, Beijing 100083, China;3. Department of Physics & Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong, China |
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| Abstract: | A novel beryllium borate CsBe4(BO3)3 has been grown in crystals by high-temperature flux method using spontaneous nucleation technique for the first time. The crystal structure of this compound was determined by single crystal X-ray diffraction analysis. It crystallizes in the orthorhombic space group Pnma with lattice parameters a = 8.3914(5) Å, b = 13.3674(7) Å, c = 6.4391(3) Å, Z = 4, V = 722.28(7) Å3. The crystal takes the same structure type as Rb analog based on the units of BO3 triangles and BeO4 tetrahedrons, displaying a three-dimensional tunnel structure with Cs atoms filling in the cages. The IR spectrum confirms the presence of BO3 groups and the UV–vis–IR diffuse reflectance spectrum exhibits this compound has a short UV cut-off edge below 200 nm. Band structures and density of states were calculated. |
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