The phrase "atomic displacement" is correct and usable in written English.
It can be used in contexts related to physics, materials science, or nuclear reactions, referring to the movement of atoms from their original positions in a lattice structure.
Example: "The study focused on the effects of atomic displacement on the material's properties under extreme conditions."
Alternatives: "atomic shift" or "atomic relocation".
The structure was then refined with REFMAC5, at 1.57 Å resolution, applying the maximum likelihood residual, anisotropic B-factor refinement, riding hydrogen atoms, and atomic displacement parameter refinement using the 'tls' method [ 52].
Unless otherwise stated, all non-H atoms were refined with anisotropic atomic displacement parameters, while the hydrogen atoms were placed in geometrically calculated positions.
It is better to use integrated densities rather than peak heights because the atoms may have different atomic displacement parameters.
The omission of the refinement of split positions led to significant residual peaks near the uranium atoms and to the impossibility to calculate the anisotropic atomic displacement parameters of the boron atoms.
Fig. 1 ▶ also exhibits much larger atomic displacement ellipsoids for the H atoms than for the remaining atoms.
The model was initially refined with isotropic atomic displacement parameters (ADPs); hydrogen atoms in riding positions were added later.
The structure solution and parameter refinement (full-matrix least-squares against F) were performed by using the SHELX-97 software suite 38, 39 with anisotropic atomic displacement parameters for the atoms of the main split position.
Two atomic displacement mechanisms involving a five-atom sub-cluster are identified as the fundamental means of compositional redistribution between clusters in the alloy.
The atomic coordinates and isotropic atomic displacement parameters for the Ba and Ge atoms are determined through Rietveld refinement with synchrotron X-ray data.
In addition, both species (Mg and Fe) at M sites show displacive modulation, but their coordinates, modulations and atomic displacement parameters (ADP) are constrained to be identical.
Therefore, the first and leading criterion was the B factor (atomic displacement parameter), which describes the movement of an atom around its mean position and therefore shows the flexibility and dynamics of the protein structure (Parthasarathy and Murthy 2000).
