Hi George, thanks for responding. I sure imported the same structural information into atoms and the crystal structure program. Lisa
Hi Lisa,
I'm not very familiar with PbSO4, so I'm not sure if I can help, but your email immediately brought some questions to mind.
First, did you import the same information into atoms and the crystal structure program? The way you worded your message made me think that the crystal structure program already "knew" the structure of PbSO4, in which case perhaps it is using a structure that is slightly different from the one you import into atoms.
Second, what is the source of the structure data you are feeding into atoms? In my experience, errors and inconsistencies in the reporting of structure data in the literature can lead to unusual results in atoms.
Best, George