Structure Factor (F )forHCP

) for HCP
StructureFactor(F
hkl

Fhkl fi e

2 i ( hui kv j lwi )

i 1

Describeshowatomicarrangement(uvw)influencesthe
D
ib h t i
t(
)i fl
th

intensityofthescatteredbeam.
i.e.,
Ittellsuswhichreflections(i.e.,peaks,hkl)toexpectina
Ittellsuswhichreflections(i e peaks hkl)toexpectina

diffractionpatternfromagivencrystalstructurewith
atomslocatedatpositionsu,v,w.
p
, ,
1

 InHCPcrystals(likeRu,Zn,Ti,andMg)the
InHCPcrystals(likeRu Zn Ti andMg)the

coordinatesforthebasisare:
000
1 2 1

3 3 2

Therefore,thestructurefactorbecomes:
h 2k l
2 i

Fhkl fi 1 e 3 3 2

 Wesimplifythisexpressionbyletting:
h 2k 1

g
3
2

whichreducesthestructurefactorto:
h h d
h
f

Fhkl fi 1 e

2 ig

Wecansimplifythisoncemoreusing:

fromwhichwefind:
eix e ix 2 cos x

h 2k l

F 4 fi cos

2
3
2
hkl

Selection rules for HCP

SelectionrulesforHCP
0
f2
i
2
Fhkl 2
3 fi
4 fi 2

when h 2k
when h 2k
when h 2k
when h 2k

3n and l odd
3n 1 and l even
3n 1 and l odd
3n and l even

ForyourHWproblem,youwillneedthesethingstodo

thestructurefactorcalculationforRu.
HINT:Itmightsaveyousometimeifyoualreadyhad

theICDDcardforRu.