Crystallography Open Database

Information card for entry 4001634

Preview

Coordinates	4001634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Ga3 N5
Calculated formula	Ba3 Ga3 N5
Title of publication	Ba3Ga3N5—A Novel Host Lattice for Eu2±Doped Luminescent Materials with Unexpected Nitridogallate Substructure
Authors of publication	Hintze, Frauke; Hummel, Franziska; Schmidt, Peter J.; Wiechert, Detlef; Schnick, Wolfgang
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	2
Pages of publication	402
a	16.801 ± 0.003 Å
b	8.3296 ± 0.0017 Å
c	11.623 ± 0.002 Å
α	90°
β	109.92 ± 0.03°
γ	90°
Cell volume	1529.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001634.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001634.cif
51856	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4001634 via cif-deposit CGI script.	4001634.cif