Crystallography Open Database

Information card for entry 9010307

Preview

Coordinates	9010307.cif
Original paper (by DOI)	HTML
External links	AMCSD: 0004429, 0004441

Structure parameters

Mineral name	Hydronium jarosite
Formula	Fe3 H6.92 O14 S2
Calculated formula	Fe3 H6.92 O14 S2
SMILES	[Fe+3].[Fe+3].[Fe+3].[OH3+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
Title of publication	Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Locality: synthetic Sample: A
Authors of publication	Basciano, L. C.; Peterson, R. C.
Journal of publication	American Mineralogist
Year of publication	2007
Journal volume	92
Pages of publication	1464 - 1473
a	7.3552 Å
b	7.3552 Å
c	16.9945 Å
α	90°
β	90°
γ	120°
Cell volume	796.211 Å³
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 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)	9010307.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)	9010307.cif
200438	2017-09-11	cif Fixing (or adding) some Z values and formulae to more sensible values	9010307.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.	9010307.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9010307.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9010307.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9010307.cif
1210	2010-06-10	cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers.	9010307.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.	9010307.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	9010307.cif
649	2009-04-18	Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/.	9010307.cif