Crystallography Open Database

Information card for entry 2239564

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Structure parameters

Common name	Barium gallium oxynitride
Chemical name	Tetrabarium gallium trinitride oxide
Formula	Ba4 Ga N3 O
Calculated formula	Ba4 Ga N3 O
SMILES	[Ba+2].[Ba+2].[Ba+2].[O-2].[N-2][Ga]([N-2])[N-2].[Ba+2]
Title of publication	Ba~4~GaN~3~O
Authors of publication	Hashimoto, Takayuki; Yamane, Hisanori
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	6
Pages of publication	i28
a	7.813 ± 0.0003 Å
b	25.6453 ± 0.001 Å
c	7.9162 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1586.14 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181895 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95.	2239564.cif 2239564.hkl
181314	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95.	2239564.cif 2239564.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239564.cif 2239564.hkl
113941	2014-05-18	cif/ hkl/ Adding structures of 2239564 via cif-deposit CGI script.	2239564.cif 2239564.hkl