Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
StianRamsnes`MaXrd`
SystematicAbsentQ  |
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Details and Options
Examples
(6)
Basic Examples
(3)
Reflection is systematic absent (extinct) for space group :
01
2
I/acd
4
1
In[1]:=
 | SystematicAbsentQ |
Out[1]=
True
while reflection is not:
123
In[2]:=
| SystematicAbsentQ |
Out[2]=
False
In the case of silicon, reflection is not extinct, but is. This follows from the reflection condition for face-centred crystals (all Miller indices must be either odd or even).
111
123
In[1]:=
| SystematicAbsentQ |
Out[1]=
False
In[2]:=
| SystematicAbsentQ |
Out[2]=
True
Owing to the occupation of Wyckoff position in the silicon crystal, special conditions in addition to the general ones may come into play:
8 a
In[3]:=
| SystematicAbsentQ |
Out[3]=
True
In[4]:=
| SystematicAbsentQ |
Out[4]=
False
Multiple reflections:
In[1]:=
hkl={{0,0,2},{1,1,1},{0,1,2},{2,2,2},{2,0,3},{5,3,1}};
["CalciumFluoride",hkl]
| SystematicAbsentQ |
Out[1]=
{False,True,True,False,True,True}
In[2]:=
| SystematicAbsentQ |
Out[2]=
{True,False,True}
Scope
(1)
Possible Issues
(2)
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