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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_atom_type_scat.Cromer_Mann_b1
Name:_atom_type_scat.Cromer_Mann_b1
Aliases:
_atom_type_scat_Cromer_Mann_b1
_atom_type.scat_Cromer_Mann_b1
Definition:
The set of data items used to define Cromer-Mann coefficients
for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors.
f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4]
where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength
of the incident radiation in angstroms.
Ref: International Tables for X-ray Crystallography (1974).
Vol. IV, Table 2.2B
or International Tables for Crystallography (2004).
Vol. C, Tables 6.1.1.4 and 6.1.1.5.
Type: Real
Units: angstrom_squared
Category:
atom_type_scat
