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Author Berthebaud, David ♦ Perez, Olivier ♦ Tobola, Janusz ♦ Pelloquin, Denis ♦ Maignan, Antoine
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ BARIUM COMPOUNDS ♦ CORRELATIONS ♦ ELECTRONIC STRUCTURE ♦ IRON ♦ IRON SELENIDES ♦ LATTICE PARAMETERS ♦ METALLICITY ♦ MONOCLINIC LATTICES ♦ MONOCRYSTALS ♦ POWDERS ♦ SILICA ♦ SULFIDES ♦ TETRAGONAL LATTICES ♦ TRANSMISSION ELECTRON MICROSCOPY ♦ X-RAY DIFFRACTION
Abstract The new ternary selenides, Ba{sub 4}Fe{sub 3}Se{sub 10} and BaFe{sub 2}Se{sub 4,} were synthesized from a reaction of appropriate amounts of elements at high temperature in a silica sealed tube, and their structures were resolved using X-ray single crystal diffraction. BaFe{sub 2}Se{sub 4} crystallizes in the tetragonal space group I4/m with a=8.008(9) Å and c=5.483(3) Å as cell parameters. It is a new compound with a structure isotypical to the sulfide BaFe{sub 2}S{sub 4} which belongs to the infinitely adaptive structures series Ba{sub 1+x}Fe{sub 2}S{sub 4}. The second compound, Ba{sub 4}Fe{sub 3}Se{sub 10}, crystallizes in the monoclinic space group P2{sub 1}/n with a=8.8593(1) Å, b=8.8073(1) Å, c=12.2724(1) Å and β=109.037(6)° as cell parameters. It exhibits an original structure with a new type of iron selenide polyhedra. These data were consistent with the powder X-ray diffraction and TEM analyses. Their electronic structures point towards metallicity and electronic correlations for both selenides. - Graphical abstract: Experimental [010] oriented ED pattern and corresponding HREM image of Ba{sub 4}Fe{sub 3}Se{sub 10}. Image calculated with a focus and thickness to 15nm and 8 nm respectively is inserted. Bright contrasts are correlated to Se rows belonging to FeSe{sub 3}(Se{sub 2}){sup 2−}–FeSe{sub 6}–FeSe{sub 3}(Se{sub 2}){sup 2−} trimers. The corresponding structure projection is also shown. - Highlights: • Two new barium iron selenide compounds. • An original structure type Ba4Fe3Se10. • Electronic structure calculations.
ISSN 00224596
Educational Use Research
Learning Resource Type Article
Publisher Date 2015-10-15
Publisher Place United States
Journal Journal of Solid State Chemistry
Volume Number 230


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