Crystallography Open Database

Information card for entry 1005035

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Coordinates	1005035.cif

Structure parameters

Chemical name	Nonabarium tetranitridoniobate nitride azide
Formula	Ba9 N12 Nb2
Calculated formula	Ba9 N12 Nb2
Title of publication	Barium niobium nitride azide: Ba9 (NbN4)2 N (N3)
Authors of publication	Clarke, S J; DiSalvo, F J
Journal of publication	Zeitschrift fuer Kristallographie - New Crystal Structures
Year of publication	1997
Journal volume	212
Pages of publication	109 - 310
a	7.9979 ± 0.0011 Å
b	9.6273 ± 0.0012 Å
c	12.6441 ± 0.0014 Å
α	75.867 ± 0.007°
β	85.69 ± 0.012°
γ	87.868 ± 0.013°
Cell volume	941.3 Å³
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.045
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.	1005035.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1005035.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.	1005035.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/'	1005035.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1005035.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.	1005035.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)	1005035.cif