Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
StianRamsnes`MaXrd`
ImportCrystalData  |
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Details and Options
Examples
(6)
Basic Examples
(1)
Example .cif files:
In[1]:=
demoCIFs=FileNames"*.cif",FileNameJoin
,"Kernel","Data","ExampleFiles","CIF";
 | $MaXrdPath |
A random sample file:
In[2]:=
randomfile=RandomChoice@demoCIFs;
In[3]:=
 | ImportCrystalData |
Out[3]=
ChemicalFormulaFe,FormulaUnits6,SpaceGroupRc,LatticeParametersa,b,c,α,β,γ,Wavelength,AtomData{8}
C
13
H
22
N
6
S
3
3
16.3249
Å
16.3249
Å
12.4163
Å
90
°
90
°
120
°
0.69804
Å
Scope
(1)
Options
(4)
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""