Crystallography Open Database

Information card for entry 4311195

Preview

Coordinates	4311195.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium Silicon Nitride
Chemical name	Barium Silicon Nitride
Formula	Ba N2 Si
Calculated formula	Ba N2 Si
Title of publication	Synthesis and Structure of Alkaline Earth Silicon Nitrides: BaSiN2, SrSiN2, and CaSiN2
Authors of publication	Zoltán A. Gál; Phillip M. Mallinson; Heston J. Orchard; Simon J. Clarke
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3998 - 4006
a	5.6046 ± 0.0001 Å
b	11.3605 ± 0.0003 Å
c	7.5851 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	482.95 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0155
Residual factor for significantly intense reflections	0.0138
Weighted residual factors for significantly intense reflections	0.0282
Weighted residual factors for all reflections included in the refinement	0.0286
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4311195.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311195.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311195.cif
2687	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311195 via cif-deposit CGI script.	4311195.cif