Below are example links for structures of various allotropes of
elemental sulfur. These include both molecular and polymeric forms.
Most of the structures were picked from results for a simple
CrystalWorks search.
The rest were selected from links found using the RSC ChemSpider
system.
Example Sulfur Structures found by searching CrystalWorks
The CrystalWorks example structures are taken predominently from the
ICSD database There is also one entry from the Cambridge Structural
Database (CSD).
The CrystalWorks is now also capable of accessing the Crystallographic
Open Database. A couple of COD structures are used, and these
particular entries are discussed further under the next sub-heading.
S6 - R-3
S6 - R-3 (COD entry 9012361)
S7 - P21/n
S8 - P21
S8 - P2c/c (COD entry 9007593)
S8 - P2/n
S8 - Fddd (CSD entry FURHUV10)
S9
S10
S11
S10/S6
S13
S (polymeric - helical)
S (polymeric - high pressure 3D form)
Crystallographic Open Database links from ChemSpider
Entries have also been taken from the ChemSpider pages for
"Hexathiane"
and
"Cyclooctasulfur".
Each of these ChemSpider pages has a number of links to structure
determinations in the Crystallographic Open Database.
A single example has been taken from each page.
Details of these structures can be viewed directly at the COD search
site via the link below:
Two examples are the entries
9012361
and
9007593,
and they are also in the CrystalWorks examples list shown earlier on the page.
The COD site provides good structure display facilities - it uses
JSmol.
However, these particular structures present problems in that only the
"asymmetric unit" is presented when the default display options are
used.
In these two cases only a single atom (9012361) and molecular
fragments (90075593) are present in the COD default display.
The situation can be improved with the various JSmol "Symmetry" options
(use the right mouse button or equivalent to get the menu).
It is not clear, at present, how these options can be deployed using
tablets and other mobile devices.
The CrystalWorks JSmol implementation is an improvement in this regard.
For comparison check out these specific structures via the
CrystalWorks examples link.
You can now search the COD using CrystalWorks
If you are a CDS/DL registered user you can, of course, perform your
own CrystalWorks searching on the "classic" databases (ICSD, CRYSTMET
and CSD).
Alternatively you may have authorised access via the Royal Society of
Chemistry national Chemical Database Service portal.
Links are available via the CDS/DL homepage.
Recently we have added the Crystallographic Open Database to the
list of searchable databases.
An up to date version is now maintained on the CDS/DL server.
The can be searched in conjunction with the classic databases.
In addition there is open access to searching the COD alone.
No registration is required - simply use the following link:
Further examples pages
Other examples webpages have also been produced.
These include items extracted from Frank Hoffmann's Space Group 230
project as as well as from Crystallography365.
The Crystallography365 team coordinated by Helen Marnard-Casely,
blogged a crystal structure a day throughout 2014.
If you have suggestions for further pages please make contact via the
address at the foot of this page.