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Abstract:
The chemical bonding in MgAgAs-type compounds of the main-group elements is analyzed with the aid of quantum chemical direct-space techniques.These phases show a variety of different bonding patterns from highly covalent interactions as in diamond to mostly ionic bonding as in the zinc-blende type compound BeS. The formal concept of the 8− N rule (octet rule) is related to the direct-space techniques to rationalize the results and compare the MgAgAs-type compounds with classical valence compounds like elements of the diamond structure, zinc-blende and Zintl phases. © Springer International Publishing Switzerland 2016.