|
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
_exptl_crystal.F_000
Name:_exptl_crystal.F_000
Alias:
_exptl_crystal_F_000
Definition:
The effective number of electrons in the crystal unit cell contributing
to F(000). This may contain dispersion contributions, and is calculated as
F(000) = [ (sum f~r~)^2^ + (sum f~i~)^2^ ]^1/2^
f~r~ = real part of the scattering factors at θ = 0°
f~i~ = imaginary part of the scattering factors at θ = 0°
the sum is taken over each atom in the unit cell.
For X-rays, non-dispersive F(000) is a positive number and counts
the effective number of electrons in the unit cell; for neutrons,
non-dispersive F(000) (which may be negative) counts the total
nuclear scattering power in the unit cell. See
https://dictionary.iucr.org/F(000).
Type: Real
Definition method:
If (_diffrn_radiation.probe == "neutron") _units.code = "femtometres"
Else If (_diffrn_radiation.probe == "electron") _units.code = "volts"
Else _units.code = "electrons"
Category:
exptl_crystal