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Abstract:
Hf5Sb3 can be prepared by are-melting of hafnium and previously
synthesized HfSb2. It crystallizes like the high-temperature
modification of Zr5Sb3 in the Y5Bi3 structure type, space group Pnma,
Z=4, a=740.75(9) pm, b=871.8(1) pm, c=1073.6(1) pm, V=693.3(1)
10(6)pm(3). An antimonide analogous to the low-temperature form of
Zr5Sb3 was not obtained during our investigations. In the structure of
Hf5Sb3, the Hf atoms form a three-dimensional network with numerous
short Hf-Hf contacts, including the Sb atoms in severely distorted two-
and three-capped trigonal prismatic voids. Calculations of the
electronic structure, performed with the extended Huckel approximation
as well as the TB-LMTO-ASA method, point to three-dimensional metallic
properties of Hf5Sb3. (C) 1999 Elsevier Science S.A. All rights
reserved.
