Crystallography Open Database

Information card for entry 2101845

Preview

Coordinates	2101845.cif
Original IUCr paper	HTML
External links	MPOD: 1000029, 1000030, 1000031, 1000032, 1000033

Structure parameters

Chemical name	lithium_niobate
Formula	Li Nb O3
Calculated formula	Li Nb O3
Title of publication	Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~
Authors of publication	Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N.
Journal of publication	Acta Crystallographica Section B
Year of publication	1997
Journal volume	53
Journal issue	3
Pages of publication	420 - 428
a	5.148 ± 0.003 Å
b	5.148 ± 0.003 Å
c	13.863 ± 0.003 Å
α	90 ± 0.01°
β	90 ± 0.01°
γ	120 ± 0.013°
Cell volume	318.2 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.015
Residual factor for significantly intense reflections	0.015
Weighted residual factors for all reflections	0.015
Weighted residual factors for significantly intense reflections	0.015
Goodness-of-fit parameter for all reflections	3.276
Goodness-of-fit parameter for significantly intense reflections	3.276
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	xray_wiggler
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202022 (current)	2017-10-15	cif/ Marking COD entries that are known to be related to MPOD entries using the _cod_related_entry data loop.	2101845.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2101845.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2101845.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2101845.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2101845.cif
26029	2011-09-17	cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).	2101845.cif
25271	2011-09-10	cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.	2101845.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.	2101845.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	2101845.cif
340	2008-04-05	Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition.	2101845.cif
326	2008-04-03	Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site.	2101845.cif