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...
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Next: Handling of mixed sites...