International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G, ch. 2.2, p. 36

Section 2.2.7.4.16. Other characters

S. R. Hall,a* N. Spadaccini,c I. D. Brown,d H. J. Bernstein,e J. D. Westbrookb and B. McMahonf

2.2.7.4.16. Other characters

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(33) Other special alphabetic characters should be indicated as follows:

\%a a-ring (å) \?i dotless i (ı) \&s German `ss' (ß)
\/o o-slash (ø) \/l Polish l (ł) \/d barred d (đ)

Capital letters may also be used in these codes, so an ångström symbol (Å) may be given as \%A.

(34) Superscripts and subscripts should be indicated by bracketing relevant characters with circumflex or tilde characters, thus:

superscripts Csp^3^ for Csp3
subscripts U~eq~ for Ueq

The closing symbol is essential to return to normal text.

(35) Some other codes are accepted by convention. These are:

\% degree (°) \times ×
-- dash +- [\pm]
--- single bond -+ [\mp]
\db double bond \square [\square]
\tb triple bond \neq [\neq]
\ddb delocalized double bond \rangle [>]
\sim [\sim] \langle [>]
(Note: ~  is the code for subscript) \rightarrow [\rightarrow]
\simeq [\simeq] \leftarrow [\leftarrow]
\infty [\infty]    

Note that \db, \tb and \ddb should always be followed by a space, e.g. C=C is denoted by C\db C.








































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