Crystallography Open Database

Information card for entry 7101263

Preview

Coordinates	7101263.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Strontium lithium manganese oxide sulfide
Formula	Li1.89 Mn O2 S2 Sr2
Calculated formula	Li1.886 Mn O2 S2 Sr2
Title of publication	Reversible lithium insertion and copper extrusion in layered oxysulfides
Authors of publication	Simon Clarke; Oliver J. Rutt; Gareth R. Williams
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	27
a	4.07036 ± 0.00008 Å
b	4.07036 Å
c	17.8721 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	296.101 ± 0.015 Å³
Cell temperature	295 K
Number of distinct elements	5
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Goodness-of-fit parameter for all reflections	1.91
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180114 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/12.	7101263.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	7101263.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7101263.cif
91955	2013-12-31	cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number.	7101263.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7101263.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	7101263.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7101263.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.	7101263.cif
922	2009-12-09	cif/ Fixing manually missing braces in series 4, 7 and 8 CIFs.	7101263.cif
271	2008-03-15	Adding CIF files from the Chem-Comm-2006-20_48/ deposion.	7101263.cif