Crystallography Open Database

Information card for entry 1100044

Preview

Coordinates	1100044.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zinc sulfide
Mineral name	Wurtzite
Formula	S Zn
Calculated formula	S Zn
Title of publication	u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction
Authors of publication	Kisi, E. H.; Elcombe, M. M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1989
Journal volume	45
Journal issue	12
Pages of publication	1867 - 1870
a	3.8227 ± 0.0001 Å
b	3.8227 ± 0.0001 Å
c	6.2607 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	79.2 Å³
Number of distinct elements	2
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0575
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278161 (current)	2022-09-26	cif/1/10/00/ Added the summary chemical formula to multiple entries after checking that it is compatible with the values of other data items such as the chemical name and structural chemical formulae as well as the calculated chemical formula.	1100044.cif
175067	2016-01-26	cif/1/10/ (antanas@echidna.ibt.lt) Updating bibligoraphy for entry 1100044.	1100044.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1100044.cif
77586	2013-03-28	cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(basename $i); C=$(echo $B\|awk '{print "/home/saulius/struct/cod/cif/"substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0}'); ( set -x; cif_merge --over \ _chemical_name_mineral,_chemical_name_structure_type,_chemical_name_common,_chemical_name_systematic,_chemical_formula_structural,_chemical_formula_sum \ $C $i ) \ \| cif_filter --add-cif-header $C \ \| sponge $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013)	1100044.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100044.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1100044.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1100044.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100044.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1100044.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1100044.cif