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AbstractAbstract
[en] The title compound was prepared from the elements by arc-melting. The crystal structure was investigated by means of single-crystal X-ray diffraction. It crystallizes in the TbFeSi structure type, orthorhombic space group Cmmm, a = 4.0496(8), b = 16.416(2), c = 3.9527(6) Å, Z = 4, R1 = 0.041, wR2 = 0.11 for 207 unique reflections with I > 2 σ(I) and 19 refined parameters. The Fe position is not fully occupied and the refinement results in a composition GdFeSi in agreement with a chemical analysis. The structure consists of zig-zag chains of Si(1) atoms which are terminally bound to additional Si(2) atoms. For an ordered variant GdFeSi the Zintl concept can be applied which results in formal oxidation states Gd(Fe)Si(1)Si(2). The electronic structure of this variant GdFeSi was analyzed using the tightbinding LMTO method and the results confirm the simple bonding picture.
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Source
Available from: http://dx.doi.org/10.1515/znb-2019-0200
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Journal Article
Journal
Zeitschrift fuer Naturforschung. B: Chemical Sciences; ISSN 0932-0776;
; CODEN ZNBSEN; v. 75(1-2); p. 217-223

Country of publication
CHEMICAL ANALYSIS, COHERENT SCATTERING, CRYSTAL LATTICES, CRYSTAL STRUCTURE, CRYSTALS, DIFFRACTION, DISTANCE, GADOLINIUM COMPOUNDS, IRON COMPOUNDS, MICROANALYSIS, NONDESTRUCTIVE ANALYSIS, POTENTIALS, RARE EARTH COMPOUNDS, SCATTERING, SILICIDES, SILICON COMPOUNDS, SPECTROSCOPY, SYMMETRY GROUPS, THREE-DIMENSIONAL LATTICES, TRANSITION ELEMENT COMPOUNDS
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