MAXRD SYMBOL

$TransformationMatrices

$TransformationMatrices
is an association containing the matrices for transforming between different unit cell settings.

DetailsDetails

  • The matrix associated with the key "CrystallographicToCartesian" uses the Global` context of the symbols a, b, c, α, β and γ.

ExamplesExamplesopen allclose all

Basic Examples  (3)Basic Examples  (3)

With unique axis , going from cell choice 1 to 2 (or 2 to 3, or 3 to 1), the required transformation matrix is:

In[1]:=
Click for copyable input
Out[1]//MatrixForm=

Transformation matrix for turning a rhombohedral cell to hexagonal setting:

In[1]:=
Click for copyable input
Out[1]//MatrixForm=

Matrix for transforming from crystallographic system to Cartesian coordinate system: [Julian, 2015]

In[1]:=
Click for copyable input
Out[1]//MatrixForm=
In[2]:=
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Out[2]//MatrixForm=

Scope  (2)Scope  (2)

Properties & Relations  (1)Properties & Relations  (1)

Mathematica code  (1)Mathematica code  (1)

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