Crystallography Open Database

Information card for entry 9014169

Preview

Coordinates	9014169.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Mineral name	Sulfur
Formula	S8
Calculated formula	S8
SMILES	S1SSSSSSS1
Title of publication	The structure of rhombic sulphur _cod_database_code 1011160
Authors of publication	Warren, B.; Burwell, J.
Journal of publication	Journal of Chemical Physics
Year of publication	1935
Journal volume	3
Pages of publication	6 - 8
a	10.48 Å
b	12.92 Å
c	24.54999 Å
α	90°
β	90°
γ	90°
Cell volume	3324.11 Å³
Number of distinct elements	1
Space group number	70
Hermann-Mauguin space group symbol	F d d d :1
Hall space group symbol	F 2 2 -1d
Duplicate of	1011160
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292204 (current)	2024-06-05	cif: Fixing miscelaneous details in structures with just one element in the declared formula	9014169.cif
292002	2024-05-23	Inserting missing Z values into entries of range 9	9014169.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9014169.cif
184280	2016-07-07	cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ \| while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ \| cif_filter -h $(cod-locate ${LINE[1]}) \ \| sponge $(cod-locate ${LINE[1]}); \ done	9014169.cif
176725	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9014169.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9014169.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014169.cif