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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`
CrystalFormulaUnits
​
CrystalFormulaUnits
[crystal]
calculates the number of formula units
Z
for the crystal.
​
Details and Options

Examples  
(6)
Basic Examples  
(4)
In[1]:=
CrystalFormulaUnits
["Silicon"]
Out[1]=
8
​
In[1]:=
CrystalFormulaUnits
["Aluminium"]
Out[1]=
4
​
In[1]:=
CrystalFormulaUnits
["PrussianBlue"]
Out[1]=
1
​
In[1]:=
CrystalFormulaUnits
["Ice"]
Out[1]=
12
Scope  
(1)

Options  
(1)

SeeAlso
CrystalDensity
 
▪
$CrystalData
 
▪
BraggAngle
 
▪
GetCrystalMetric
 
▪
ImportCrystalData
 
▪
GetElements
 
▪
GetLaueClass
 
▪
AttenuationCoefficient
 
▪
GetSymmetryData
 
▪
UnitCellTransformation
RelatedGuides
▪
MaXrd – Mathematica X-ray diffraction package
""

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