The aluminosilicate Li2Na3AlSi2O8 was crystallized from the Li2CO3H3BO3 flux system. It crystallizes in the orthorhombic space group Cmca, with cell dimensions a = 14.1045 (19) angstrom, b = 14.7054 (19) angstrom, c = 7.0635 (9) angstrom, 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.
Chinese Acad Sci, Xinjiang Key Lab Elect Informat Mat & Devices, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Han Shujuan,Pan Shilie,Yang Zhihua,et al. synthesis, structure characterization, and optical properties of the aluminosilicate li2na3alsi2o8[J]. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE,2013,639(5):779-783.