Crystallography Open Database

Information card for entry 6000722

Preview

Coordinates	6000722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O7 P2 Zn2
Title of publication	Thermal behavior of zinc phenylphosphonate and structure determination of gamma-Zn2P2O7 from X-ray powder diffraction data
Authors of publication	Bataille, T.; Benard-Rocherulle, P.; Louer, D.
Journal of publication	Journal of Solid State Chemistry
Year of publication	1998
Journal volume	140
Pages of publication	62 - 70
a	4.9504 Å
b	13.335 Å
c	16.482 Å
α	90°
β	90°
γ	90°
Cell volume	1088.04 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P b c m
Duplicate of	6000401
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176292 (current)	2016-02-09	cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries.	6000722.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	6000722.cif
120070	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8.	6000722.cif
112050	2014-04-29	cod/ (saulius@koala.ibt.lt) Marking 392 files as duplicates of the COD entries (with smaller COD IDs) that had identical title, cell constants and coordinates: mysql -u cod_reader cod -e ' select d1.file, d2.file from data as d1 join data as d2 on ( d1.title = d2.title or d1.title = substr(d2.title,1,length(d2.title)-1) or d2.title = substr(d1.title,1,length(d1.title)-1)) and d1.file < d2.file and d1.a = d2.a and d1.b = d2.b and d1.c = d2.c and d1.vol = d2.vol and (d1.calcformula = d2.calcformula or d1.calcformula is null or d2.calcformula is null) and d1.duplicateof is null and d2.duplicateof is null and d1.optimal is null and d2.optimal is null order by d1.file, d2.file' -NB \ \| xargs -i bash -c ' F1=$(echo {} \| awk "{print \$1}" \| codid2file); F2=$(echo {} \| awk "{print \$2}"\| codid2file); true echo === {} ===; if diff -q <(cif2ref $F1) <(cif2ref $F2) >& /dev/null; then CODID=$(echo {} \| awk "{print \$1}"); echo $CODID is the main entry for $F2; echo "_cod_duplicate_entry $CODID" >> $F2; fi' The localhost `cod` database's table `data` was loaded with the last night's COD `data` dump.	6000722.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	6000722.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.	6000722.cif
878	2009-11-19	cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif	6000722.cif