Premium
Structure refinement of the δ 1 p phase in the Fe–Zn system by single‐crystal X‐ray diffraction combined with scanning transmission electron microscopy
Author(s) -
Okamoto Norihiko L.,
Tanaka Katsushi,
Yasuhara Akira,
Inui Haruyuki
Publication year - 2014
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520613034410
Subject(s) - diffraction , transmission electron microscopy , single crystal , crystallography , materials science , phase (matter) , scanning electron microscope , optics , chemistry , physics , nanotechnology , organic chemistry , composite material
The structure of the δ 1 p phase in the iron−zinc system has been refined by single‐crystal synchrotron X‐ray diffraction combined with scanning transmission electron microscopy. The large hexagonal unit cell of the δ 1 p phase with the space group of P 6 3 / mmc comprises more or less regular (normal) Zn 12 icosahedra, disordered Zn 12 icosahedra, Zn 16 icosioctahedra and dangling Zn atoms that do not constitute any polyhedra. The unit cell contains 52 Fe and 504 Zn atoms so that the compound is expressed with the chemical formula of Fe 13 Zn 126 . All Fe atoms exclusively occupy the centre of normal and disordered icosahedra. Iron‐centred normal icosahedra are linked to one another by face‐ and vertex‐sharing forming two types of basal slabs, which are bridged with each other by face‐sharing with icosioctahedra, whereas disordered icosahedra with positional disorder at their vertex sites are isolated from other polyhedra. The bonding features in the δ 1 p phase are discussed in comparison with those in the Γ and ζ phases in the iron−zinc system.