Crystal Structures, Bonding and Electronic Structures of MM′As, a Series of New Ternary Arsenides (M = Zr, Hf; M′ = Fe, Co, Ni)

✍ Scribed by H. Kleinke; H. F. Franzen

• Publisher: John Wiley and Sons
• Year: 1998
• Tongue: German
• Weight: 165 KB
• Volume: 624
• Category: Article
• ISSN: 0372-7874
• DOI: 10.1002/(sici)1521-3749(199801)624:1<51::aid-zaac51>3.0.co;2-q

✦ Synopsis

All six new arsenides were prepared by arc-melting of preheated mixtures of the monoarsenides MAs with the 3d metals Fe, Co, and Ni, respectively. The isostructural title compounds all form the Co 2 Si structure type, in contrast to the corresponding phosphides with ZrNiP occurring in the Ni 2 In type. The anomalous expansions of the unit cells from ZrCoAs to ZrNiAs (V = 178.5(3) A Ê 3 versus V = 182.5(1) A Ê 3 ) and from HfCoAs to HfNiAs (V = 175.03(5) A Ê 3 versus V = 177.0(1) A Ê 3 ) can be understood based on Extended Hu È ckel calculations of the electronic structure of HfCoAs.