Crystallography Open Database

Information card for entry 4313276

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Coordinates	4313276.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	strontium six gallium pentanitrate
Formula	Ga N5 Sr6
Calculated formula	Ga N5 Sr6
SMILES	[Ga]([N-2])([N-2])[N-2].[Sr+2].[Sr+2].[Sr+2].[N-3].[Sr+2].[Sr+2].[N-3].[Sr+2]
Title of publication	Synthesis and Structure of Sr3GaN3 and Sr6GaN5: Strontium Gallium Nitrides with Isolated Planar [GaN3]6- Anions
Authors of publication	Dong Gon Park; Zoltán A. Gál; Francis J. DiSalvo
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1779 - 1785
a	6.6667 ± 0.0006 Å
b	6.6667 ± 0.0006 Å
c	12.9999 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	500.37 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	193
Hermann-Mauguin space group symbol	P 63/m c m
Hall space group symbol	-P 6c 2
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.271
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
179188 (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 4/31/32.	4313276.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313276.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313276.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4313276.cif
6345	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313276 via cif-deposit CGI script.	4313276.cif