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DOI: 10.1039/A703252H (Paper) Reference Section for: J. Mater. Chem., 1997, 7, 2103-2106

Crystal structure of Ba2Li2/3Ti16/3O13

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Christian Dussarrat, R. Alan Howie, Glenn C. Mather, Leticia M. Torres-Martinez and Anthony R. West

Abstract

Single crystals of Ba2Li2/3Ti16/3O13 have been isolated and its crystal structure solved from X-ray diffraction data. The structure is similar to that of Ba2Ti6O13and Na2Ti6O13 [monoclinic, space group C2/m (no.12), a=15.171(13), b=3.8992(18), c=9.106(4) Å, β=98.64(6)°, Z=2], but one of the three independent octahedral sites contains partial substitution of Ti by Li, whereas the others are uniquely occupied by Ti. This phase contains only Ti4+ , in contrast to Ba2Ti6O13 , which has a mixture of Ti3+ and Ti4+. The structure is described in terms of both an octahedral framework and a cubic close-packing model of [Ba2 □O13 ] layers (□: vacancy).

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