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Figure 5
(a) ELF with an isovalue of 0.50 for the BaSn structure with a lattice constant of 4.070 Å. Note the formation of a free-electron density at the oxygen positions of the BaSnO3 perovskite phase. Blue spheres represent Ba atoms. The Sn atom is centring the cell and is hidden by the octahedral ELF. (b) The structure of BaSnO3, showing the B2 substructure of BaSn and the O octahedron around the Sn atom. Ba, Sn and O atoms are represented by blue, grey and red spheres, respectively.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 66| Part 3| June 2010| Pages 338-344
https://doi.org/10.1107/S0108768110013200
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