Diamond 2.1: ORTEP-like representation of thermal ellipsoids
Diamond 2.1 Features Overview...
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Like for polyhedra, Diamond does not define a separate model for the
representation of anisotropic displacement parameters as thermal ellipsoids but
uses the default ("ball-and-stick") model. Thus you can display spherical and
ellipsoidal atoms side-by-side in one and the same picture, and even mixed with
coordination polyhedra. You may switch ellipsoid or spherical representation on
or off for selected atom types or individual atoms. Switching off ellipsoid
representation is mostly used for H atoms that have no anisotropic displacement
parameters.
The following collage of three Diamond pictures shows the 1.5-fold
volume of the unit cell with completed Sn2Te6
molecule ions. The left third of the picture uses rendering mode with the atoms
appearing as massive ellipsoids. The medium part uses standard (non-rendering)
mode that has been optimized for example to be printed out on a color ink or
laser printer, whereas the right third does only use black lines on white
background for b/w photo-reproduction in a journal.
Reference:
In1072.cif, taken from Acta Cryst. C55 (1999), 282 - 284
Name: Hexacesium-hexatellurodistannate(III)
Author(s): Friede, Bernd; Jansen, Martin
Title: Cs6Sn2Te6 - a new
tellurodistannate(III)
Diamond 2.1 Features Overview...
Previous: Versatile use of polyhedra...
Next: Handling of mixed sites...
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