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- W2078209076 abstract "The mixed tetrel Zintl phase Ba8Si6Sn has been prepared and structurally characterized. The compound crystallizes in the orthorhombic space group Pbcn (No. 60). The lattice parameters are a = 8.7739(17) Å, b = 8.7599(17) Å and c = 27.162(5) Å. The compound consists of two different blocks of the composition Ba2Sn and a Ba6(Si36-)2, respectively. The Si36--units are isolated three membered rings. By the Zintl–Klemm concept the triangles are best described as pseudo-sulfur units with two single bonds per atom. The tin atoms are isolated and have a formal charge of 4−. According to DFT calculations the phase is a semi conductor with a small band gap of 0.19 eV. Ba8Si6Sn is related to the double salt Ba4Si3Br2 = (Ba3Si3)(BaBr)2." @default.
- W2078209076 created "2016-06-24" @default.
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- W2078209076 date "2010-12-01" @default.
- W2078209076 modified "2023-09-26" @default.
- W2078209076 title "Counterintuitive charge distribution in Ba8Si6Sn – A new tetralide Zintl phase containing -units" @default.
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- W2078209076 doi "https://doi.org/10.1016/j.ica.2010.08.033" @default.
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