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Figure 4
(a) Refined crystal structure and (b) equi-density surface of MEM electron density at 0.8 Å−3 for Sm2Ti2S2O4.9. (c) Schematic diagram of valence and conduction bands for stoichiometric Sm2Ti2S2O5. Cells of 4 × 5 × 1 are depicted to show the chemical bonding in the crystal structure. Thin solid lines in (a) are the unit cells. Pink, blue, red, dark red and yellow spheres in (a) denote Sm, Ti, O1, O2 and S atoms, respectively. TiSO4.9 octahedra are shown in (a). This figure is in colour in the electronic version of this paper.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 64| Part 3| May 2008| Pages 291-298
doi:10.1107/S0108768108007532
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