OOF2: The Manual

`Bunge (Bunge)`
	6.4.2. Subclasses

Name

Bunge (Bunge) — Bunge angles for defining a rotation which brings the lab axes into coincidence with the crystal axes, in the order z, x, z.

Synopsis

Bunge(phi1,theta,phi2)

Details

Base class: Orientation
Parameters:

phi1

First rotation, about z axis. Type: A real number.

theta

Second rotation, about x axis. Type: A real number.

phi2

Third rotation, about z axis. Type: A real number.

Description

A Bunge object represents the orientation of a three dimensional object, assumed to be a crystal, in three dimensional space in terms of three angles, $\phi_1$ , $\Theta$ , and $\phi_2$ , corresponding to rotations which bring the lab (or screen) axes $\hat{\mathrm{\bf x}}$ , $\hat{\mathrm{\bf y}}$ , and $\hat{\mathrm{\bf z}}$ into coincidence with the crystalline $\hat{\mathrm{\bf a}}$ , $\hat{\mathrm{\bf b}}$ , and $\hat{\mathrm{\bf c}}$ , axes, respectively. This is the conventional usage of the texture community, and is the opposite of the usual sense for rotations in OOF2.

With this important difference, it resembles the X convention, in that the axis selection and ordering are the same. The $\phi_1$ rotation is about the initial laboratory axis $\hat{\mathrm{\bf z}}$ , the second $\Theta$ rotation is about the rotated laboratory $\hat{\mathrm{\bf x}}$ axis, and the third $\phi_2$ rotation is about the rotated $\hat{\mathrm{\bf z}}$ axis.

The OOF2 implementation of this method actually constructs the rotation matrix which takes the crystalline axes into the laboratory axes, but does so from the usual parameters. Users familiar with the Bunge convention can thus use previously obtained or instrument provided angles directly.


`Both (Both)`		`CG (CGSolver)`

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