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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`
ConstructDomains
​
ConstructDomains
[{A,B,C},n,c]
constructs an
A×B×C
structure of
n
domains iterated
c
cycles.
​
​
ConstructDomains
["SectorRegions",{A,B,C},{{p,w,φ}…}]
constructs an
A×B×C
structure with a series of sector-shaped domains, each domain having
p
pairs of sectors with width
w
using a start angle
φ
.
​
Details and Options

Examples  
(12)
Basic Examples  
(4)
In[1]:=
domain=
ConstructDomains
[{5,5,1},4,1]
Out[1]=
{{5,5,1},{1,1,1,3,3,4,1,3,3,3,2,4,4,3,3,4,4,3,3,3,4,4,4,3,3}}
In[2]:=
DomainPlot
@domain
Out[2]=
​
In[1]:=
domain=
ConstructDomains
[{10,10,1},2,10]
Out[1]=
{{10,10,1},{2,2,2,2,2,2,2,1,1,1,2,2,2,2,2,2,2,2,1,1,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,1,1,1,2,2,2,2,2,2,1,2,1,1,2,2,2,2,2,1,1,1,1,1,2,2,2,2,1,2,2,1,1,1,2,2,2,2,1,2,2,2,1,1,2,2,2,2,2,2,2,2,1,1,2,2,2,2,2,2,2,2,1,1}}
In[2]:=
DomainPlot
@domain
Out[2]=
​
In[1]:=
domain=
ConstructDomains
[{12,12,5},3,20];​​
DomainPlot
@domain
Out[1]=
​
In[1]:=
domain=
ConstructDomains
["SectorRegions",{16,16,1},{{4,25°,35°}}];​​
DomainPlot
@domain
Out[1]=
Scope  
(6)

Options  
(1)

Possible Issues  
(1)

SeeAlso
DomainPlot
 
▪
CrystalPlot
 
▪
EmbedStructure
 
▪
SynthesiseStructure
 
▪
SimulateDiffractionPattern
 
▪
ExpandCrystal
 
▪
GetCrystalMetric
 
▪
InputCheck
 
▪
ResizeStructure
RelatedGuides
▪
MaXrd – Mathematica X-ray diffraction package
""

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