Molecular plot: Unit cell of ZnI2 in the HgI2 phase.



This unit cell presents a very interesting problem. The crystal is made up of I-Zn-I linear molecules aligned in parallel in the z direction. Molecules are linked together head to tail by I-I bonds, most probably weaker than the Zn-I bonds. This suggest that the crystal could easily exfoliate perpendicularly to the z axis. Depicting the coordination polyhedra would be inapropriate. A simple ball and stick model provides a clear and suggestive illustration of the structure.

POV-Ray 2.2 Image (tes10.jpg)

Tessel code

set camangle 70 20 40
set background background {color rgb <0.6,0.9,0.8>}
set use_planes .false.
molecule
   title ZnI2. HgI2-type (P42/nmc). Experimental geometry.
   crystal
      spg p 42/n m c
      cell 8.0692 8.0692 22.2988 90 90 90
      neq 0.0 0.0 0.0   Zn  2
      neq 0.0 0.5 0.16  I  -1   
      crystalbox  -1.00 -1.00 -1.00 2.00 2.00 2.00
      clippingbox -0.14 -0.14 -0.05 1.14 1.14 1.05
   endcrystal
   environ
   unitcell radius 0.1 rgb 1.0 0.5 0.5
   ball Zn rgb 0.8 0.8 0.8
   ball I  rgb 0.0 0.1 0.3
   stick Zn I  dist 3.5 4.1 radius 0.2 rgb 0.5 1 1
   povray hgi2.pov
endmolecule
run povray hgi2.pov +W400 +H400 +A0.2 +R3
run cjpeg -Q 80 hgi2.tga > hgi2.jpg
run rm hgi2.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.