Crystallography Open Database

Information card for entry 9017722

Preview

Coordinates	9017722.cif
External links	AMCSD

Structure parameters

Mineral name	Petrovite
Formula	Ca0.47 Cu0.883 K0.1 Mg0.117 Na4.96 O16 S4
Calculated formula	Ca0.47 Cu0.883 K0.1 Mg0.117 Na4.96 O16 S4
Title of publication	Petrovite, Na10CaCu2(SO4)8, a new fumarolic sulfate from the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia
Authors of publication	Filatov, S. K.; Shablinskii, A. P.; Krivovichev, S. V.; Vergasova, L. P.; Moskaleva, S. V.
Journal of publication	Mineralogical Magazine
Year of publication	2020
Journal volume	84
Pages of publication	691 - 698
a	12.6153 Å
b	9.0264 Å
c	12.7166 Å
α	90°
β	108.311°
γ	90°
Cell volume	1374.73 Å³
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293658 (current)	2024-08-03	Fixing aniso label mismatch for those entries were the correspondence could be derived automatically: ( set -x; directory-metadata; cat ~/AMCSD-wrong-aniso-labels.lst.history; head ~/AMCSD-wrong-aniso-labels.lst; awk '{print $2}' ~/AMCSD-wrong-aniso-labels.lst \| sort -u \| xargs -i sh -c 'PERL5LIB=$(pwd)/src/lib/perl5:$PERL5LIB ./scripts/cif_fix_AMCSD_aniso_labels {} \| cif_filter --add-cif-header {} \| sponge {}'; date ) &> ~/cod_cif_fix_AMCSD_aniso_labels_range_9.log & The AMCSD-wrong-aniso-labels.lst was obtained from the output of the 'cif_validate' with the recent core and cod dictionaries. The 'cif_fix_AMCSD_aniso_labels' script is used from the following branch: Path: scripts/cif_fix_AMCSD_aniso_labels Name: cif_fix_AMCSD_aniso_labels Working Copy Root Path: /home/saulius/src/cod-tools URL: svn://cod.ibt.lt/cif-tools/branches/experiment/saulius-AMCSD-fix-aniso-labels/scripts/cif_fix_AMCSD_aniso_labels Relative URL: ^/branches/experiment/saulius-AMCSD-fix-aniso-labels/scripts/cif_fix_AMCSD_aniso_labels Repository Root: svn://cod.ibt.lt/cif-tools Repository UUID: 04be6746-3802-0410-999d-98508da1e98c Revision: 10202 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 10200 Last Changed Date: 2024-08-01 17:09:44 +0300 (Thu, 01 Aug 2024) Text Last Updated: 2024-08-01 17:09:45 +0300 (Thu, 01 Aug 2024) Checksum: 566cd4f94115722d7e3512e0321a042cf7e65ab7 cif/ (saulius@tasmanijos-velnias)	9017722.cif
292100	2024-05-29	Inserting Z values into entries of range 9 that miss it	9017722.cif
282074	2023-03-27	cod/ (saulius@kukutis) Syncronising the AMCSD and the COD: depositing those AMCSD files that are genuinely new (i.e. do not have corresponding COD entries when compared using DOI, atomic coordinates, cell parameters and symmetry).	9017722.cif