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The Predicted Structures of the New Pnictides HfMQ in Contrast to ZrMQ (M = Ti, V; Q = P, As)
Author(s) -
Derakhshan Shahab,
Dashjav Enkhtsetseg,
Kleinke Holger
Publication year - 2004
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200300471
Subject(s) - isostructural , chemistry , chalcogen , crystallography , valence electron , electron counting , valence (chemistry) , transition metal , metal , atom (system on chip) , crystal structure , tetrahedron , electron , biochemistry , physics , organic chemistry , quantum mechanics , computer science , embedded system , catalysis
The new pnictides HfTiP, HfTiAs and HfVAs have been prepared through arc‐melting. These arsenides form the predicted structures with (distorted) TiAs 4 and VAs 4 tetrahedra, while the structures of both Zr analogs (ZrTiAs and ZrVAs) are comprised of TiAs 4 and VAs 4 square planes, respectively. These differences stem from significant differences in the metal atom substructures. On the other hand, HfTiP and ZrTiP are isostructural. These variations were predicted by utilizing a structure map for metal‐rich pnictides and chalcogenides M 2 Q (M = valence‐electron poor transition metal, Q = pnicogen or chalcogen) presented in the year 2000. The HfMQ structure is stabilized by strong Hf−Q, M−Q and M−M bonds, and to a minor extent by Hf−Hf and Hf−M bonding interactions. All three new Hf 1−δ M 1+δ Q phases exhibit significant phase ranges. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)