Premium
HfNi x P – Intercalation of Ni into the Three‐Dimensional Compound HfP
Author(s) -
Kleinke H.,
Franzen H. F.
Publication year - 1996
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.19966220812
Subject(s) - crystallography , crystal structure , octahedron , metal , trigonal crystal system , atom (system on chip) , nickel , trigonal prismatic molecular geometry , materials science , crystal (programming language) , chemistry , metallurgy , computer science , programming language , embedded system
The new compound HfNi x P (x = 0.426(1), crystal structure: P6 3 /mmc, a = 3.737(1) Å, c = 12.666(2) Å, V = 153.21(7) Å 3 ) has been prepared by arc‐melting of HfP with nickel and subsequent annealing at 1400°C. Its crystal structure can be considered as a filled HfP structure, with the Ni atoms inserted into the trigonal prismatic voids of the Hf sublattice. Since the neighboring trigonal Hf 6 prisms are centered by P atoms, each of the three rectangular faces of the Hf 6 Ni prism is capped with one P atom. Altogether, the structure of HfNi x P consists of alternating layers of Hf atoms with the packing sequence AABB . One P and the Ni position are situated between the eclipsed Hf layers, whereas the other P site between the A and B layers is surrounded by six Hf atoms in a staggered arrangement. The calculated density of states (Extended Hückel approximation) points to metallic conductivity; threedimensional metallic behavior is assumed because of the Hf–Hf bonding interactions along all three directions.