Crystallography Open Database

Information card for entry 1005051

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Structure parameters

Chemical name	Barium copper nitride (16/13/15)
Formula	Ba16 Cu13 N15
Calculated formula	Ba16 Cu13 N15
Title of publication	Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8)(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2
Authors of publication	Niewa, R; DiSalvo, F J
Journal of publication	Journal of Alloys Compd.
Year of publication	1998
Journal volume	279
Pages of publication	153 - 160
a	9.5611 ± 0.0004 Å
b	7.2731 ± 0.0002 Å
c	13.5225 ± 0.0005 Å
α	90°
β	93.115 ± 0.002°
γ	90°
Cell volume	938.9 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.072
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.	1005051.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1005051.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1005051.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.	1005051.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/'	1005051.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1005051.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.	1005051.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)	1005051.cif