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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`
DarwinWidth
​
DarwinWidth
[crystal,{h,k,l}]
calculates the Darwin width of the
hkl
reflection for
crystal
at the stored wavelength.
​
​
DarwinWidth
[crystal,λ,{h,k,l}]
calculates the Darwin width of the
hkl
reflection for
crystal
at wavelength
λ
.
​
​
DarwinWidth
[crystal,λ,{{
h
1
,
k
1
,
l
1
},{
h
2
,
k
2
,
l
2
},…}]
calculates the Darwin width of the
hkl
i
reflection for
crystal
at wavelength
λ
.
​
​
DarwinWidth
[crystal,λ,{h,k,l},
γ
o
,
γ
h
]
calculates the Darwin width of the
hkl
reflection for
crystal
at wavelength
λ
, using the factors
γ
o
and
γ
h
of the experimental setup.
​
Details and Options

Examples  
(4)
Basic Examples  
(3)
In[1]:=
dw=
DarwinWidth
["Nickel",1.1573,{1,1,1}]
Out[1]=
67.3866
μrad
In[2]:=
UnitConvert[dw,"Millidegrees"]
Out[2]=
3.86097
mdegree
​
In[1]:=
DarwinWidth
["GalliumArsenide",1.54184,{0,0,4}]
Out[1]=
14.8829
μrad
​
In[1]:=
dw=
DarwinWidth
["Silicon",0.99764,{{1,1,1},{3,5,7}}]
Out[1]=

20.1191
μrad
,
0.727777
μrad

In[2]:=
UnitConvert[dw,"ArcSeconds"]
Out[2]=
{
4.14987
"
,
0.150115
"
}
Possible Issues  
(1)

SeeAlso
ExtinctionLength
 
▪
StructureFactor
 
▪
BraggAngle
 
▪
InterplanarSpacing
 
▪
$CrystalData
RelatedGuides
▪
MaXrd – Mathematica X-ray diffraction package
""

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