Molecular plot: Unit cell of MgF2 in the rutile structure.



POV-Ray 2.2 Image (tes7.jpg)

The figure represents the unit cell of the rutile phase of MgF2. The coordination polyhedron of the Mg ion at the (1,0,0) position appears in dark green. The coordination polyhedra of all the oxygens lying in the cell appear as semitransparent bluish sheets. Notice the differences between the two polyhedron orders. Also notice how transparency is easily invoked by entering a rgb vector with four components, the last component being the filter value for the POV-Ray output (0 being opaque and 1 being completely transparent).

Tessel code

set camangle 75 30 30
set use_planes .false.
set background background {color rgb <0.6,0.9,0.8>}
molecule
  title MgF2. Rutile structure. Experimental geometry.
  crystal
    spg p 42/m n m
    cell 8.7455 8.7455 5.7541 90 90 90
    neq 0.0000 0.0000 0.0  Mg  2
    neq 0.3030 0.3030 0.0  F  -1 
    crystalbox  -1.00 -1.00 -1.00 2.00 2.00 2.00
    clippingbox -0.08 -0.08 -0.14 1.08 1.08 1.14
  endcrystal
  environ
  unitcell radius 0.1 rgb 1.0 0.5 0.5
  ball Mg radius 0.5 rgb 0.8 0.8 0.8
  ball F  radius 1.0 rgb 0.0 0.1 0.3
  stick Mg F radius 0.2  rgb 0.5 1 1
  polyhedron Mg at 1.0 0.0 0.0 rgb 0.0 0.6 0.0 by F
  polyhedron F  rgb 0.0 0.6 0.8 1.0 by Mg
  povray rutile.pov
endmolecule
run povray rutile.pov +W400 +H400 +A0.2 +R3
run cjpeg -Q 80 rutile.tga > rutile.jpg
run rm rutile.tga
end

Master document: tessel.html
Page dates: November 25, 1996 (creation), Sep 22, 2003 (last update). Admin.: victor@carbono.quimica.uniovi.es
Copyright © 1996-2003 Víctor Luaña.