5. Electronic density cards

5.1 Definitions

X-ray diffraction by a crystal gives access to a function called electron density, which reflects a continuous distribution of electrons in the crystal lattice. In theory, the electron density ρ (x, y, z) at a point with relative coordinates (x, y, z) in the crystal lattice is calculated by the relation :

ρ (x, y, z) = (\frac{1}{V}) \sum_{h = − \infty}^{+ \infty}

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Electronic density cards

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Refinement of a crystallographic structure

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Bibliography

(1) - GRIMES (J.M.), HALL (D.R.), ASHTON (A.W.), EVANS (G.), OWEN (R.L.), WAGNER (A.), McAULEY (K.E.), VON DELFT (F.), ORVILLE (A.M.), SORENSEN (T.) et al - Where is crystallography going? - Acta Crystallogr D. Struct. Biol., 74, p. 152-166 (2018).
(2)...

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