Atoms Parameters Refinement Dialog
Label
Identification characters for atom or object.
Ntyp
Link to scattering data of the atom. In general, chemical symbol in upper case to access internal table.
X, Y, Z
Fractional atomic coordinates.
B
Isotropic displacement (temperature) parameter in Å2
Occ
Occupation number i.e. chemical occupancy × site multiplicity (can be normalised to the multiplicity of the general position of the group).
Moment
Beta
Phase
Cone (Phi)
Cone (Theta)