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MaXrd

Guides

  • MaXrd – Mathematica X-ray diffraction package

Tech Notes

  • Applying crystal data
  • Basic computations
  • Computations on reflections
  • Formulas in crystallography
  • Importing crystal data
  • Quick guide to conditions
  • References
  • Symmetry calculations
  • The association structure of crystallographic data
  • Using the rotation options

Symbols

  • AttenuationCoefficient
  • BraggAngle
  • ConstructDomains
  • CrystalDensity
  • CrystalFormulaUnits
  • CrystalPlot
  • DarwinWidth
  • DistortStructure
  • DomainPlot
  • EmbedStructure
  • ExpandCrystal
  • ExportCrystalData
  • ExtinctionLength
  • FindPixelClusters
  • GetAtomCoordinates
  • GetAtomicScatteringFactors
  • GetCrystalMetric
  • GetElements
  • GetLatticeParameters
  • GetLaueClass
  • GetScatteringCrossSections
  • GetSymmetryData
  • GetSymmetryOperations
  • ImportCrystalData
  • InputCheck
  • InterplanarSpacing
  • MergeDomains
  • MergeSymmetryEquivalentReflections
  • MillerNotationToList
  • MillerNotationToString
  • ReciprocalImageCheck
  • ReciprocalSpaceSimulation
  • ReflectionList
  • RelatedFunctionsGraph
  • ResetCrystalData
  • ResizeStructure
  • SimulateDiffractionPattern
  • StructureFactor
  • StructureFactorTable
  • SymmetryEquivalentPositions
  • SymmetryEquivalentReflections
  • SymmetryEquivalentReflectionsQ
  • SynthesiseStructure
  • SystematicAbsentQ
  • ToStandardSetting
  • TransformAtomicDisplacementParameters
  • UnitCellTransformation
  • $CrystalData
  • $GroupSymbolRedirect
  • $LaueClasses
  • $MaXrdPath
  • $MaXrdVersion
  • $PeriodicTable
  • $PointGroups
  • $SpaceGroups
  • $TransformationMatrices
StianRamsnes`MaXrd`
GetLaueClass
​
GetLaueClass
[pg]
returns the Laue class of point group
pg
.
​
​
GetLaueClass
[sg]
returns the Laue class of space group
sg
.
​
​
GetLaueClass
[crystal]
returns the Laue class of the space group of
crystal
.
​
Examples  
(4)
Basic Examples  
(4)
Point groups:
In[1]:=
GetLaueClass
["mm2"]
Out[1]=
mmm
In[2]:=
GetLaueClass
["1"]
Out[2]=
1
In[3]:=
GetLaueClass
["23"]
Out[3]=
m
3
​
Alternative settings of point groups:
In[1]:=
GetLaueClass
["-4m2"]
Out[1]=
4/mmm
In[2]:=
GetLaueClass
["-3m"]
Out[2]=
3
m
In[3]:=
GetLaueClass
["-31m"]
Out[3]=
3
1m
​
Space groups:
In[1]:=
GetLaueClass
["
P4
2
/mnm"]
Out[1]=
4/mmm
In[2]:=
GetLaueClass
["I 41/a -3 2/d"]
Out[2]=
m
3
m
In[3]:=
GetLaueClass
["Fd-3m:2"]
Out[3]=
m
3
m
​
Crystals:
In[1]:=
GetLaueClass
["Silicon"]
Out[1]=
m
3
m
In[2]:=
GetLaueClass
["Ice"]
Out[2]=
6/mmm
SeeAlso
$LaueClasses
 
▪
GetSymmetryOperations
 
▪
GetSymmetryData
 
▪
ToStandardSetting
 
▪
SymmetryEquivalentReflections
 
▪
$CrystalData
 
▪
$GroupSymbolRedirect
RelatedGuides
▪
MaXrd – Mathematica X-ray diffraction package
""

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