Crystallography Open Database

Information card for entry 1100068

Preview

Coordinates	1100068.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	strontium oxide iodide
Formula	I6 O Sr4
Calculated formula	I6 O Sr4
SMILES	[I-].[Sr+2].[I-].[I-].[Sr+2].[O-2].[Sr+2].[I-].[Sr+2].[I-].[I-]
Title of publication	Strontium oxide iodide
Authors of publication	Barker, Marten G.; Francesconi, M. Grazia; Shutt, Thomas H.; Wilson, Claire
Journal of publication	Acta Crystallographica, Section E: Structure Reports Online
Year of publication	2001
Journal volume	57
Journal issue	6
Pages of publication	i44 - i45
a	10.747 ± 0.001 Å
b	10.747 ± 0.001 Å
c	7.8678 ± 0.0009 Å
α	90 ± 0°
β	90 ± 0°
γ	120 ± 0°
Cell volume	787 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Sample thermal history	heated at 1000C for 24 hours; cooled to room temperature at 1C/hour
Number of distinct elements	3
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	2200256
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210325 (current)	2018-09-01	cif/ Updating bibliography in entries 1100068, 2200256. Marking entry 1100068 as a duplicate of entry 2200256.	1100068.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1100068.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1100068.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100068.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	1100068.cif
1059	2010-03-30	Finished fixing uniq tags with mistakes from unrecognised-tag.lst	1100068.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.	1100068.cif
950	2010-01-20	cif/ Generating sample thermal history and and pressure history descriptions from titles or material preparation reports; to be used for distinguishing similar structures measured after different treatment.	1100068.cif
900	2009-11-21	cif/ Renaming data blocks of all COD CIFs so that they have COD number (taken from the COD file name) as their datablock number: find ? -name \.cif \ \| xargs \ perl \ -MFile::Basename \ -i \ -lpe 's/^data_([^\s])/"data_".basename($ARGV, ".cif")/e' After this change, 'cif2cod' will give correct keys in the generated table. Also, data block names are guaranteed to be distinct, so any subset of COD CIFs can be concatenated into one file without introducing ambiguity.	1100068.cif
20	2008-01-26	Removing white space at the end of all lines from all COD CIF files: in the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\s+\n$/\n/'	1100068.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1100068.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100068.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1100068.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1100068.cif