Crystal lattice structure factor

For a finite set $S$ of crystal sites, the lattice structure factor at momentum transfer $Q$ isIt multiplies the single-atom scattering amplitude.

For $S=\{{\sum }_i{l}_i{a}_i:-L_i/2\le l_i\le L_i/2\}$ and ${\alpha }_i=Q\cdot a_i$,For large $L_i$, each factor is sharply peaked when ${\alpha }_i\in 2\pi \mathbb{Z}$, exactly the condition $Q\in {\Lambda }^{\ast }$.

Sites at 000 and one half of each cubic coordinate give $F=f_A+(-1{)}^{h+k+l}{f}_B$. Identical sites produce a body-centered cubic lattice with absent odd-parity reflections. Distinct chemical species generally preserve only the simple cubic lattice translations, so those same odd reflections need not vanish. A geometric body center is not by itself a symmetry translation of the decorated crystal.

A vanishing crystal basis structure factor can depend on approximate equality of atomic scattering factors, rather than on an exact space group condition. For two inequivalent site classes, an amplitude $F=C(f_A-f_B)$ vanishes when $f_A=f_B$ but becomes weakly observable if bonding electron densities or thermal displacements differ. Chemical identity alone does not imply identical local atomic scattering factors. The diffraction intensity is quadratic in the small difference.

The scattering amplitude assigned to one atom or ion as a function of momentum transfer, normalized relative to a stated scattering convention. X-ray and electron factors are different; multiplying by basis phase factors produces the total unit-cell amplitude.

A diffraction reflection enabled by a larger chemical or structural repeat than that of a reference parent structure. In ordered $L{1}_2$ $A_{3}B$, sites $(0,0,0)$ and the three face centres give $F=f_B+f_A[(-1{)}^{h+k}+(-1{)}^{h+l}+(-1{)}^{k+l}]$. Equal-parity indices give $f_B+3f_A$; mixed parity gives $f_B-f_A$. The latter vanish when the two scattering factors are equal.