Structure factor calculation
Consider a general unit cell for this type of structure. It can be reduced to 4
atoms of type A at 000, 0 ½ ½, ½ 0 ½, ½ ½ 0 i.e. in the fcc position and 4
atoms of type B at the sites ¼ ¼ ¼ from the A sites. This can be expressed as:
The structure factors for this structure are:
- F = 0
if h, k, l mixed (just like fcc)
- F = 4(fA ± ifB)
if h, k, l all odd
- F = 4(fA - fB)
if h, k, l all
even and h+ k+ l = 2n where n=odd (e.g. 200)
- F = 4(fA + fB)
if h, k, l all
even and h+ k+ l = 2n where n=even (e.g. 400)
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