Crystallography Open Database

Information card for entry 9013652

Preview

Coordinates	9013652.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Mineral name	Birnessite
Formula	H4.424 Mn O4.212
Calculated formula	Mn O4.212
SMILES	[Mn+4].[O-2].[O-2].O.O
Title of publication	Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved X-ray diffraction and transmission electron microscopy Note: Solution concentration 0.05 M Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
Authors of publication	Lopano, C. L.; Heaney, P. J.; Post, J. E.
Journal of publication	American Mineralogist
Year of publication	2009
Journal volume	94
Pages of publication	816 - 826
a	5.1349 Å
b	2.8465 Å
c	7.5135 Å
α	89.94°
β	101.561°
γ	89.997°
Cell volume	107.593 Å³
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	C -1
Hall space group symbol	-P 1 (1/2x+1/2y,1/2x-1/2y,-z)
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284046 (current)	2023-05-28	cif/9/ (saulius@tasmanijos-velnias) Commiting those range 9 files with previously unidentified atoms (like 'Wat' or 'Ob') for which declared and calculated formulae differ at most in the number of hydrogen atoms.	9013652.cif
282068	2023-03-26	cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop.	9013652.cif
282053	2023-03-24	cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs.	9013652.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9013652.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9013652.cif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)	9013652.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9013652.cif
22768	2011-07-16	cif/9 A few more fixed formulae.	9013652.cif
1214	2010-06-10	cif/9/ Adding new CIFs from the AMCSD-resynchronisation-2010.04.24/ data processing.	9013652.cif