checkCIF procedure

PLAT303


PLAT303 Type_2 Test for more than 1 connection to H-atoms
 Hydrogen atoms are generally connected to only one other atom. A hydrogen  
 atom between two oxygen atoms is a special case. Investigate whether this  
 hydrogen atom is better described with a disorder model with two partially 
 occupied sites. A difference map might show a double-well density. 
Follow IUCr Journals
Sign up for e-alerts
Follow us on facebook
Sign up for RSS feeds