XTAL - DISPLAY FACE INDEXED CRYSTAL


ABSORPTION CORRECTION TOOLS PLATON HOMEPAGE

A drawing of a crystal is generated based on a supplied face-indexed description.

Example file xtal.ins:

TITL XTAL
CELL 3.1304 3.1349 16.9117 90 90 90
FACE 1 0 8 .0434
FACE -1 0 8 .0434
FACE 1 0 -8 .0434
FACE -1 0 -8 .0434
FACE 0 1 8 .0651
FACE 0 -1 8 .0651
FACE 0 1 -8 .0651
FACE 0 -1 -8 .0651
FACE 0 0 1 .0325
FACE 0 0 -1 .0325

Invoking PLATON with platon xtal.ins followed by either clicking on the XTAL HABIT menu-item or by typing XTAL will bring up a drawing of the crystal and the ABSCOR-MENU.

The crystal may be stepwise rotated by clicking on the RotX, RotY and RotZ buttons.

The resulting figure is shown in Fig1.

Faces may be added, changed or deleted (Either on Menu-items FaceAdd & FaceDelete or from the Keyboard))

e.g. adding an additional (1 0 0) plane is accomplished with

FACE 1 0 0 0.06

and the deletion of the (0 0 1) face by

DELF 0 0 1

The current number of faces, edges and vertices is displayed on the drawing.

The crystal is checked for finiteness using Eulers rule that: Number of Planes + number of Vertices = number of Edges + 2. If not, the message Crystal not Finite is issued.

END or EXIT will terminate the session.


ABSORPTION CORRECTION TOOLS PLATON HOMEPAGE


28-oct-1998 A.L.Spek