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Direct observation of incommensurate structure in Mo 3 Si
Author(s) -
Gulec Ahmet,
Yu Xiaoxiang,
Taylor Matthew,
Perepezko John H.,
Marks Laurence
Publication year - 2016
Publication title -
acta crystallographica section a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.742
H-Index - 83
ISSN - 2053-2733
DOI - 10.1107/s2053273316012286
Subject(s) - crystal structure , crystallography , materials science , stoichiometry , atom (system on chip) , crystal (programming language) , atom probe , electron diffraction , diffraction , phase (matter) , chemistry , microstructure , optics , physics , organic chemistry , computer science , programming language , embedded system
Z ‐contrast imaging, electron diffraction, atom‐probe tomography (APT) and density functional theory calculations were used to study the crystal structure of the Mo 3 Si phase which was previously reported to have an A15 crystal structure. The results showed that Mo 3 Si has an incommensurate crystal structure with a non‐cubic unit cell. The small off‐stoichiometry in composition of the sample which was revealed by APT and atomic resolution Z ‐contrast imaging suggested that site substitution caused the development of split atomic positions, disorder and vacancies.