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Structure superstructure relationships in lithium metaborate meta‐aluminate compounds

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The structure of Li2BAlO4 has been recently solved by powder x‐ray diffraction. It consists of infinite chains of meta‐aluminate tetrahedra which are crosslinked by metaborate triangles and charge balanced by four coordinated lithium atoms. In this work we employ the method of similarity operators to describe rigorously the structure superstructure relationships between Li2BAlO4, α‐ LiBO2 and γ‐LiAlO2 based on the wurtzite and zinc‐blende prototype structures. These relationships are complemented by vibrational spectroscopic comparison of the three crystalline compounds. α‐LiBO2 and γ‐LiAlO2 are the end members of the pseudobinary lithium metaborate metaaluminate join and also the products of Li2BAlO4 dissociation above ∼890°C. Therefore the results are employed to suggest the nature of high temperature chemical transformations in the Li2O–B2O3–Al2O3 phase diagram.
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Document Type: Research Article

Affiliations: 1: Institute of Materials Science, NCSR ‘Demokritos’, Institute of Materials Science, 153 10 Ag. Paraskevi, Attiki, Greece 2: Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vass. Constantinou Ave., Athens 11635, Greece

Publication date: October 1, 2000

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