Structural and electronic properties of K2Ni3S4, a pseudo-two dimensional compound with a honeycomb-like arrangement
| Autor: | Francis J. DiSalvo, Scott H. Elder, M. C. Gelabert, Raymond Brec, Stéphane Jobic |
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| Rok vydání: | 1996 |
| Předmět: |
Materials science
Mechanical Engineering Metals and Alloys Honeycomb (geometry) chemistry.chemical_element Nanotechnology Crystal structure Alkali metal Nickel Crystallography chemistry Mechanics of Materials Group (periodic table) Materials Chemistry Perpendicular Electrical measurements Electronic band structure |
| Zdroj: | Journal of Alloys and Compounds. 235:135-142 |
| ISSN: | 0925-8388 |
| DOI: | 10.1016/0925-8388(95)02064-0 |
| Popis: | Air sensitive single crystals of K 2 Ni 3 S 4 have been synthesized by reaction of 1Ni, 2K 2 S and 4S in an evacuated silica tube at 750°C for 6 days. The structure was solved in the Fddd space group with a = 5.723(2)A, b = 10.040(3) A and c = 26.059(7) A. The refinement led to R F = 0.038 ( R wF = 0.045) for 23 variables and 392 reflections. The crystal structure can be described along the c -axis as the succession of [Ni 3 S 4 2− ] infinite layers separated by two alkali metal cation slabs. In the [Ni 3 S 4 2− ] layers, the nickel atoms are in sulfur square planar coordination. The (NiS 4 ) square planes are linked together by edge sharing in such a way as to define a honeycomb network. Despite the occurrence of short S … S contacts perpendicular to the slabs, electrical measurements and tight-binding band structure calculations suggest the classical overall charge balance K 2 I Ni 3 II S 4 −II . |
| Databáze: | OpenAIRE |
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