UnitCell Tools, a package to determine unit-cell parameters from a single electron diffraction pattern.

ABSTRACT: Electron diffraction techniques in transmission electron microscopy (TEM) have been successfully employed for determining the unit-cell parameters of crystal phases, albeit they exhibit a limited accuracy compared with X-ray or neutron diffraction, and they often involve a tedious measurement procedure. Here, a new package for determining unit-cell parameters from a single electron diffraction pattern has been developed. The essence of the package is to reconstruct a 3D reciprocal primitive cell from a single electron diffraction pattern containing both zero-order Laue zone and high-order Laue zone reflections. Subsequently, the primitive cell can be reduced to the Niggli cell which, in turn, can be converted into the unit cell. Using both simulated and experimental patterns, we detail the

SUBMITTER: Shi HL 

PROVIDER: S-EPMC8420764 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature