StianRamsnes/MaXrd | Paclet Repository

StianRamsnes`MaXrd`

ReflectionList

ReflectionList [n]
	generates a list of all possible {h,k,l} combinations up to an integer n .

ReflectionList [n,condition]
	generates a list of all possible {h,k,l} combinations up to an integer n that also satisfies condition .

ReflectionList [crystal]
	generates a list of reflections for the given crystal and the corresponding wavelength stored in $CrystalData .

ReflectionList [crystal,λ]
	generates a list of reflections for the given crystal and wavelength λ .

ReflectionList [crystal,λ,condition]
	generates a list of reflections for the given crystal and wavelength λ , also taking condition into account.

Details and Options



Examples

(15)

Basic Examples

(4)

In[1]:=

ReflectionList

[1]

Out[1]=

{{0,0,1},{0,1,0},{1,0,0},{0,0,-1},{0,-1,0},{-1,0,0},{0,1,1},{1,0,1},{1,1,0},{0,1,-1},{1,0,-1},{0,-1,1},{1,-1,0},{0,-1,-1},{-1,0,1},{-1,1,0},{-1,0,-1},{-1,-1,0},{1,1,1},{1,1,-1},{1,-1,1},{1,-1,-1},{-1,1,1},{-1,1,-1},{-1,-1,1},{-1,-1,-1}}

In[1]:=

Short

ReflectionList

[3],5

Out[1]//Short=

{{0,0,1},{0,1,0},{1,0,0},{0,0,-1},{0,-1,0},{-1,0,0},{0,0,2},{0,1,1},{0,2,0},{1,0,1},{1,1,0},{2,0,0},{0,0,-2},316,{-3,-2,3},{-2,-3,3},{-3,-3,-2},{-3,-2,-3},{-2,-3,-3},{3,3,3},{3,3,-3},{3,-3,3},{3,-3,-3},{-3,3,3},{-3,3,-3},{-3,-3,3},{-3,-3,-3}}

In[2]:=

MemberQ

ReflectionList

[3],{0,0,0}

Out[2]=

False

In[1]:=

ReflectionList

["SodiumChloride",1.23]

Out[1]=

{{0,0,2},{1,1,1},{0,0,4},{0,2,2},{1,1,3},{0,0,6},{0,2,4},{2,2,2},{1,1,5},{1,3,3},{0,2,6},{0,4,4},{2,2,4},{1,3,5},{3,3,3},{0,4,6},{2,2,6},{2,4,4},{1,5,5},{3,3,5},{2,4,6},{4,4,4},{3,5,5}}

In[1]:=