Crystallography Open Database

Information card for entry 4003027

Preview

Coordinates	4003027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Be20 Eu N14
Calculated formula	Be20 Eu N14
SMILES	[N-3].[Be+2].[N-3].[Be+2].[N-3].[Eu+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].[Be+2].[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	6.5241 ± 0.0008 Å
b	6.5241 ± 0.0008 Å
c	12.1357 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	516.54 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0161
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.032
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
220446 (current)	2019-10-29	cif/ Adding structures of 4003027 via cif-deposit CGI script.	4003027.cif