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Synthesis, Structure Characterization, and Optical Properties of the Aluminosilicate Li 2 Na 3 AlSi 2 O 8
Author(s) -
Han Shujuan,
Pan Shilie,
Yang Zhihua,
Wang Ying,
Zhang Bingbing,
Zhang Min,
Huang Zhenjun,
Dong Lingyun,
Yu Hongwei
Publication year - 2013
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201200521
Subject(s) - orthorhombic crystal system , aluminosilicate , crystallography , crystal structure , lithium (medication) , alkali metal , materials science , characterization (materials science) , tetrahedron , band gap , sodium aluminosilicate , spectroscopy , chemistry , nanotechnology , physics , catalysis , medicine , biochemistry , optoelectronics , organic chemistry , endocrinology , quantum mechanics
The aluminosilicate Li 2 Na 3 AlSi 2 O 8 was crystallized from the Li 2 CO 3 –H 3 BO 3 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 [Al 2 Si 2 O 12 ] groups and [SiO 4 ] 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 Li 2 Na 3 AlSi 2 O 8 suggest that its direct gap is 4.28 eV.