Crystallography Open Database

Information card for entry 4311893

Preview

Coordinates	4311893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Li3 N
Calculated formula	Li3 N
SMILES	[N-3].[Li+].[Li+].[Li+]
Title of publication	Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure, Order, and Electrochemical Properties
Authors of publication	Jordi Cabana; Christopher D. Ling; Judith Oró-Solé; Damien Gautier; Gerard Tobías; Stefan Adams; Enric Canadell; M. Rosa Palacín
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7050 - 7060
a	3.67679 ± 0.00003 Å
b	3.67679 ± 0.00003 Å
c	3.88047 ± 0.00003 Å
α	90°
β	90°
γ	120°
Cell volume	45.431 ± 0.0006 Å³
Number of distinct elements	2
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor R(I) for significantly intense reflections	10.1581
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	2.41782 Å
Diffraction radiation type	ConstantWavelengthNeutronDiffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179157 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/18.	4311893.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311893.cif
106285	2014-03-15	cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ \| codid2file \ \| xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually.	4311893.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311893.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.	4311893.cif
3395	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311893 via cif-deposit CGI script.	4311893.cif