International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)


Index

Core dictionary version 3.3.0

_atom_type_scat.Gaussian_as

Name:
_atom_type_scat.Gaussian_as

Definition:

   
    The set of Gaussian scalar coefficients for generating X-ray scattering
    factors:
    [ a_1, a_2, ... , a_N ].

    f(s; Z) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:N]

    where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength
    of the incident radiation in angstroms.

    See also: _atom_type_scat.Gaussian_bs
          _atom_type_scat.Gaussian_c

    Reference: Thorkildsen, G. (2023). Acta Cryst. A79, 318–330.


Type: Real

Values appear in List context.

Dimension: []

Units: none

Category:
atom_type_scat








































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