Crystallography Open Database

Information card for entry 1100062

Preview

Coordinates	1100062.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Lithium Iron Iodate (1/0.3333/2/6)
Formula	Fe0.333 I2 Li O6
Calculated formula	Fe0.3334 I2 Li O6
Title of publication	X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~
Authors of publication	Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y
Journal of publication	Power Diffraction
Year of publication	2002
Journal volume	17
Pages of publication	132 - 134
a	5.4632 ± 0.0002 Å
b	5.4632 ± 0.0002 Å
c	5.0859 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	131.5 Å³
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.07
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1100062.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1100062.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100062.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.	1100062.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.	1100062.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($ARGV, ".cif")/e' After this change, 'cif2cod' will give correct keys in the generated table. Also, data block names are guaranteed to be distinct, so any subset of COD CIFs can be concatenated into one file without introducing ambiguity.	1100062.cif
802	2009-08-08	10 files fixed for chem form	1100062.cif
172	2008-02-24	26 files corrected.	1100062.cif
20	2008-01-26	Removing white space at the end of all lines from all COD CIF files: in the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\s+\n$/\n/'	1100062.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/'	1100062.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100062.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.	1100062.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)	1100062.cif