Crystal structure redetermination of ε-Ni.sub.3./sub.Si.sub.2./sub. from a single nanowire by dynamical refinement of precession electron diffraction data

0462259 - FZÚ 2017 RIV NL eng J - Journal Article
Correa, Cinthia Antunes - Klementová, Mariana - Dřínek, Vladislav - Kopeček, Jaromír - Palatinus, Lukáš
Crystal structure redetermination of ε-Ni₃Si₂ from a single nanowire by dynamical refinement of precession electron diffraction data.
Journal of Alloys and Compounds. Roč. 672, Jul (2016), s. 505-509. ISSN 0925-8388. E-ISSN 1873-4669
R&D Projects: GA ČR GA13-25747S
Institutional support: RVO:68378271 ; RVO:67985858
Keywords : precession electron diffraction tomography * structure determination * nanowire * dynamical refinement
OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Inorganic and nuclear chemistry (UCHP-M)
Impact factor: 3.133, year: 2016

Accurate crystal structure of single nanocrystals as small as tens of nanometers can be obtained by the recently published full dynamical structure refinement of precession electron diffraction tomography PEDT) data. Here we apply the method to the structure redetermination of the nickel silicide ε-Ni3Si2 from a nanowire with the diameter of 35 nm. The structure was determined as centrosymmetric Cmcm, in disagreement with the published structure, which was determined by single crystal X-ray diffraction in 1961 in the noncentrosymmetric space group Cmc21. The structure was also determined by single crystal X-ray diffraction (SCXRD), giving the same results as PEDT. The average difference of the atomic positions between the models obtained by PEDT and SCXRD was smaller than 0.007 Å.
Permanent Link: http://hdl.handle.net/11104/0261741