img8 (2)
Debye Eąuation
Algorithm:
l.Invent an atomie model you want (as a bunch of atoms)
2. Całculate all r interatomic distances (Fair Correlation Function, PCF)
3. Apply Debye formula to calculate powder diffraetion pattem:
N N • {
zz/,/,^p
;=i j=i y rij
where:
r,, —distance from atom, to atom,
— atomie scattering factors scattering vector = 4rrsin (dj/A
Atom.
i
T-\ ,'TV i
1.84 mu
C C|A| C Cl 131 O C|C|
C Si [A] O Si[R] O Si[C]
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