Metal-metal interactions, a pairing distortion, and S-lined channels in the M sub 2 Ta sub 9 S sub 6

The ternary sulfides M{sub 2}Ta{sub 9}S{sub 6}(M = Fe, Co, Ni) exhibit an interesting three-dimensional intermetallic structure, which also contains one-dimensional parallel channels sheathed by sulfur atoms. In the Ni derivative, all of the Ni atoms are equally spaced. On the other hand, and distor...

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Bibliographic Details
Published in:Inorganic chemistry 1988-12, Vol.27:26
Main Authors: Calhorda, M.J., Hoffmann, R.
Format: Article
Language:English
Subjects:
400201 - Chemical & Physicochemical Properties
BOND LENGTHS
CHALCOGENIDES
CHEMICAL BONDS
CHEMICAL REACTIONS
COBALT COMPOUNDS
DIMENSIONS
DISTANCE
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
INTERATOMIC DISTANCES
IRON COMPOUNDS
LENGTH
MATHEMATICAL MODELS
MOLECULAR MODELS
MOLECULAR STRUCTURE
NICKEL COMPOUNDS
REFRACTORY METAL COMPOUNDS
STRUCTURAL CHEMICAL ANALYSIS
SULFIDES
SULFUR COMPOUNDS
TANTALUM COMPOUNDS
TANTALUM SULFIDES
TRANSITION ELEMENT COMPOUNDS
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Summary:The ternary sulfides M{sub 2}Ta{sub 9}S{sub 6}(M = Fe, Co, Ni) exhibit an interesting three-dimensional intermetallic structure, which also contains one-dimensional parallel channels sheathed by sulfur atoms. In the Ni derivative, all of the Ni atoms are equally spaced. On the other hand, and distortion occurs for the Fe and Co compounds, its main effect being a pairing of the 3d metals, which move out of their respective layers. Alternating M-M{hor ellipsis}M distances are observed. The authors used extended Hueckel tight-binding calculations to study the bonding in these solids. Although the pairing distortion affects bands that might eventually lead to M-M bonds, they could detect little sign of their formation. They also probed the introduction of atoms in the hexagonal sulfur channels. Although the channels are very wide, strong bonds are formed between a large atom in the center and the three nearest sulfur atoms, in a triangular geometry around it.
ISSN:0020-1669
1520-510X
DOI:10.1021/ic00299a002