Crystallography Open Database

Information card for entry 7009095

Preview

Coordinates	7009095.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium molybdenum nitride
Chemical name	tribarium molybdenum(VI) tetranitride
Formula	Ba3 Mo N4
Calculated formula	Ba3 Mo N4
Title of publication	Preparation and structural characterisation of the trigonal nitridometalate Ba3MoN4
Authors of publication	Francesconi, M. Grazia; Barker, Marten G.; Cooke, Paul A.; Blake, Alexander J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	11
Pages of publication	1709
a	18.422 ± 0.003 Å
b	18.422 ± 0.003 Å
c	10.405 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3058.1 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179794 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/90.	7009095.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009095.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009095.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7009095.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009095.cif