Crystallography Open Database

Information card for entry 9013456

Preview

Coordinates	9013456.cif
Original paper (by DOI)	HTML
External links	AMCSD: 0014047, 0014048

Structure parameters

Mineral name	Rasvumite
Formula	Cs0.5 Fe2 K0.5 S3
Calculated formula	Cs0.5 Fe2 K0.5 S3
Title of publication	Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Authors of publication	Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2004
Journal volume	177
Pages of publication	1867 - 1872
a	9.3268 Å
b	11.3693 Å
c	5.4592 Å
α	90°
β	90°
γ	90°
Cell volume	578.889 Å³
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293656 (current)	2024-08-03	Correcting the AMCSD database code data name in range 9: find -name '*.cif' \| xargs -i sh -xc 'perl -i -pe "s/^_amcsd_database_code/_database_code_amcsd/" {}' cif/ (saulius@starta)	9013456.cif
291877	2024-05-16	Inserting missing Z values in most entries in the 9 range	9013456.cif
287548	2023-11-11	cod/ (saulius@tasmanijos-velnias) Automatically adding AMCSD codes and alternative mineral names to 162 COD entries: 565 tail -n +3 outputs/amcsd-cod-exact-new-matches.tsv \| awk '$NF !~ /,/ {print $3, $4}' \| tr ',' ' ' \| xargs -i bash -c 'ID1=$(awk "{print \$1}" <<< "{}"); ID2=$(awk "{print \$2}" <<< "{}"); CODID=$(awk "{print \$3}" <<< "{}"); source functions.sh; echo -e "_amcsd_database_code $ID1"; M1=$(cifvalues --no-dataname --tag _chemical_name_mineral $(amcsd2file $ID1)); M2=$(cifvalues --no-dataname --tag _chemical_name_mineral $(amcsd2file $ID2)); set -x; (if grep -q _cod_related_entry $(codid2file $CODID); then N=$(tail -n 1 $(codid2file $CODID) \| awk "{print \$1}"); else N=0; echo -e "loop_\n_cod_related_entry_id\n_cod_related_entry_database\n_cod_related_entry_code"; fi; echo -e "$(expr $N + 1) AMCSD $ID1\n$(expr $N + 2) AMCSD $ID2"; echo -e "loop_\n_[local]_alternative_name_id\n_[local]_alternative_name_type\n_[local]_alternative_name_source\n_[local]_alternative_name_source_id\n_[local]_alternative_name_value\n1 mineral AMCSD $ID1 \"$M1\"\n2 mineral AMCSD $ID2 \"$M2\""; echo "_amcsd_database_code $ID1") \| tee -a $(codid2file $CODID)'; The command was performed in the working copy: Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/correspondence-AMCSD-COD Relative URL: ^/archives/2021/correspondence-AMCSD-COD Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7437 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 7436 Last Changed Date: 2023-11-11 09:56:27 +0200 (Sat, 11 Nov 2023)	9013456.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9013456.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9013456.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9013456.cif
77586	2013-03-28	cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(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)	9013456.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9013456.cif
1210	2010-06-10	cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers.	9013456.cif
1079	2010-04-11	cif/9/ Adding identified new files from the AMCSD-resynchronisation-2009.06.24 directory.	9013456.cif