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highlights
MM 201
Scattering by a unit cell and Structure‐factor calculation
• Scattering of x‐rays by a unit cell‐ (full derivation in section‐4.4 in Cullity
book)
‐ General Phase difference between wave scattered by atom B (having
fractional coordinates xyz = ) and that scattered by atom A at the
origin, for the hkl reflection: 2
‐ Structure factor, summation extending all the atoms of the unit cell,
written in compact form:
‐ is a complex number, in general and it expresses both the amplitude and
phase of the resultant wave. is defined as a ratio of amplitudes,
• Structure‐factor calculations‐
‐ CsCl unit cell‐ one Cs at 000 and one Cl at ½ ½ ½
. . . .½ .½ .½
if 2 1
if 2
‐ Cs, BCC unit cell‐ two Cs atom at 000 and at ½ ½ ½
. . . .½ .½ .½
1
0 for two of the indices are odd and one even, or two even and one odd
(i.e. h,k,l are mixed indices)
NOTE: Some basic on complex exponential function:
o cos sin
o
o 1 , where n is any integer.
o , where n is any integer.