Crystallography Open Database

Information card for entry 4003026

Preview

Coordinates	4003026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Be20 N14
Calculated formula	Ba Be20 N14
SMILES	[N-3].[Ba+2].[N-3].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[Be+2].[Be+2].[N-3].[Be+2].[N-3].[N-3].[Be+2].[Be+2].[Be+2].[Be+2].[N-3].[Be+2].[Be+2].[Be+2].[Be+2].[N-3]
Title of publication	MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence
Authors of publication	Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	9
Pages of publication	3174
a	6.54 ± 0.006 Å
b	6.54 ± 0.006 Å
c	12.214 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	522.4 ± 0.8 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
220445 (current)	2019-10-29	cif/ Adding structures of 4003026 via cif-deposit CGI script.	4003026.cif