ISSN:
0947-6539
Keywords:
crystal structure
;
electronic structure
;
hafnium compounds
;
indium compounds
;
metallic conductivity
;
Chemistry
;
General Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Hf2In5 - previously reported with the tentative composition “Hf3In4” - was prepared from the elements in a tantalum tube at 970 K. The X-ray diffractional characterization by means of single-crystal refinement reveals the presence of a tetragonal structure (a = 1024.71 (9), c = 305.66 (3) pm, P4/mbm, Z = 2) of Mn2Hg5 type. Hf2In5 is Pauli-paramagnetic and a good metallic conductor. Quasi-relativistic semiempirical and scalar-relativistic ab initio band structure calculations reveal Hf2In5 to be a hafnide, composed of a two-dimensional indium network threaded by infinite hafnium chains. The amount of In-In bonding scales counterintuitively with the interatomic distances.
Additional Material:
7 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/chem.1460020709
