Revise Atom, Temperature Factor Tab
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Dialog Box - called from: Input Atoms Dialog

See the Basic Tab for most normal aspect of individual input atoms, the Central Distance and Slice Offset tabs for adjusting boundaries for individual atoms, and the Vector Tab for atomic vectors for magnetic moments or vibrational displacements.

The temperature factor type, according to ORTEP, must be selected with the radio buttons. The most common types are 0 for anisotropic beta; 6 for isotropic B; 7 for a sphere of constant radius, 8 for anisotropic u, and 10 for isotropic U (not a standard ORTEP type).

The instructions and help for some releases of pre-V5.0 ATOMS may be incorrect in stating that type 7 indicates isotropic U. Actually, type 7 should be a sphere of arbitrary radius. Importing files with isotropic U may in some cases have incorrectly assigned type 7 to these atoms (although in most cases these should have been converted to isotropic B). Thus when ATOMS reads a pre-V5.0.STR file with type 7 temperature factors, you will be asked if you want to change these to type 10.

Isotropic values are entered in the first box; if the second or b22/U22 value is zero, the atom will be considered to be isotropic.