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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`
BraggAngle
​
BraggAngle
[crystal,{h,k,l}]
returns the Bragg angle of reflection
hkl
for
crystal
at the stored wavelength.
​
​
BraggAngle
[crystal,λ,{h,k,l}]
returns the Bragg angle of reflection
hkl
for
crystal
at wavelength
λ
.
​
​
BraggAngle
[crystal,{{
h
1
,
k
1
,
l
1
},…,{
h
n
,
k
n
,
l
n
}}]
returns the Bragg angle of the
n
reflections
hkl
i
for
crystal
at the stored wavelength.
​
​
BraggAngle
[crystal,λ,{{
h
1
,
k
1
,
l
1
},…,{
h
n
,
k
n
,
l
n
}}]
returns the Bragg angle of the
n
reflections
hkl
i
for
crystal
at wavelength
λ
.
​
​
BraggAngle
[G,λ,{h,k,l}]
returns the Bragg angle of reflection
hkl
associated with metric
G
at wavelength
λ
.
​
​
BraggAngle
[G,λ,{{
h
1
,
k
1
,
l
1
},…,{
h
n
,
k
n
,
l
n
}}]
returns the Bragg angle of reflection
hkl
i
associated with metric
G
at wavelength
λ
.
​
Details and Options

Examples  
(13)
Basic Examples  
(2)
In[1]:=
BraggAngle
["Silicon",0.71069,{1,3,1}]
Out[1]=
12.5334
°
​
In[1]:=
BraggAngle
["Quartz",1.5418,{1,2,3}]
Out[1]=
39.9732
°
Scope  
(2)

Options  
(3)

Applications  
(1)

Possible Issues  
(5)

SeeAlso
GetAtomicScatteringFactors
 
▪
AttenuationCoefficient
 
▪
CrystalDensity
 
▪
GetCrystalMetric
 
▪
DarwinWidth
 
▪
ImportCrystalData
 
▪
MillerNotationToString
 
▪
InterplanarSpacing
 
▪
GetLatticeParameters
 
▪
SymmetryEquivalentReflections
 
▪
ReciprocalSpaceSimulation
 
▪
ReflectionList
 
▪
StructureFactor
RelatedGuides
▪
MaXrd – Mathematica X-ray diffraction package
""

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