Journal
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Volume 74, Issue -, Pages 1006-+Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989018009064
Keywords
crystal structure; perovskite family; 6H-BaTiO3 structure type; double perovskite; isotypism
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Funding
- X-ray centre of TU Wien
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Single crystals of Ba2K2Te2O9 (dibarium dipotassium nonaoxidoditellurate), (I), Ba2K2Te2O9 (dibarium potassium sodium nonaoxidoditellurate), (II), and Ba2CaTeO6 (dibarium calcium hexaoxidotellurate), (III), were obtained from KNO3/KI or KNO3/NaNO3 flux syntheses in platinum crucibles for (I) and (II), or porcelain crucibles for (III). (I) and (II) are isotypic and are members of triple perovskites with general formula A(2)([12co]) A(0)([12co]) (B)2([6o]) (B0O9)-O-[6o]. They crystallize in the 6H-BaTiO3 structure family in space-group type P63/mmc, with the A, A0, B and B0 sites being occupied by K, Ba, Te and a second Ba in (I), and in (II) by mixed-occupied (Ba/K), Ba, Te and Na sites, respectively. (III) adopts the A(2)([12co]) B-0([6o]) B '' O-[6o](6) double perovskite structure in space-group type Fm(3)m, with Ba, Ca and Te located on the A, B ' and B '' sites, respectively. The current refinement of (III) is based on single-crystal X-ray data. It confirms the previous refinement from X-ray powder diffraction data [Fu et al. (2008). J. Solid State Chem. 181, 2523-2529], but with higher precision.
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