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New metal-rich sulfides Ni6SnS2 and Ni9Sn2S2 with a 2D metal framework: Synthesis, crystal structure, and bonding
KTH, Superseded Departments, Chemistry.
2003 (English)In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 42, no 21, 6667-6672 p.Article in journal (Refereed) Published
Abstract [en]

Two new, metal-rich nickel-tin sulfides Ni6SnS2 and Ni9Sn2S2 were found by establishing phase relations in the ternary Ni-Sn-S system at 540 degreesC. Their single crystals were prepared by means of chemical vapor transport reactions. Single crystal X-ray diffraction was used for the determination of their crystal structures. Both compounds crystallize in a tetragonal system (/4/mmm, No. 139, Z = 2, a = 3.646(1) Angstrom, c = 18.151(8) Angstrom for Ni6SnS2, and a = 3.678(1) Angstrom, c = 25.527(8) Angstrom for Ni9Sn2S2). Their crystal structures represent a new structure type and can be considered as assembled from bimetallic nickel-tin and nickel-sulfide slabs alternating along the crystallographic c axis. DFT band structure calculations showed the bonding within the bimetallic slabs to have a delocalized, multicenter nature, typical for metallic systems, and predominantly classical, pairwise bonding between nickel and sulfur.

Place, publisher, year, edition, pages
2003. Vol. 42, no 21, 6667-6672 p.
Keyword [en]
antimonide-sulfide, chalcogenides, telluride, selenide
URN: urn:nbn:se:kth:diva-22895DOI: 10.1021/ic034349+ISI: 000186023900015OAI: diva2:341593
QC 20100525Available from: 2010-08-10 Created: 2010-08-10Bibliographically approved

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