Synthesis,Structure Characterization,and Optical Properties of the Aluminosilicate Li2Na3AlSi2O8 |
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| Authors: | Shujuan Han Shilie Pan Zhihua Yang Ying Wang Bingbing Zhang Min Zhang Zhenjun Huang Lingyun Dong Hongwei Yu |
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| Affiliation: | 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. University of Chinese Academy of Sciences, Beijing 100049, P. R. China |
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| Abstract: | The aluminosilicate Li2Na3AlSi2O8 was crystallized from the Li2CO3–H3BO3 flux system. It crystallizes in the orthorhombic space group Cmca, with cell dimensions a = 14.1045 (19) Å, b = 14.7054 (19) Å, c = 7.0635 (9) Å, and Z = 8. The crystal structure consists of a two‐dimensional infinite layer, which is composed of [Al2Si2O12] groups and [SiO4] tetrahedra. The lithium and sodium atoms filling in the interlayer and intralayer link the layers together and balance the charge. IR spectroscopy and BVS calculations were used to verify the validity of the structure. The calculated band structures and the density of states of Li2Na3AlSi2O8 suggest that its direct gap is 4.28 eV. |
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| Keywords: | Crystal structure Diffuse reflectance spectroscopy Lithium Aluminosilicates Silicates |
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