Crystallography Open Database

Information card for entry 8103005

Preview

Coordinates	8103005.cif

Structure parameters

Formula	Ba2 Si4
Calculated formula	Ba2 Si4
Title of publication	Refinement of the crystal structure of dibarium tetrasilicide, Ba2Si4
Authors of publication	Thorsten Goebel; Yurii Prots; Frank Haarmann
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	1
Pages of publication	7
a	8.9326 ± 0.0004 Å
b	6.7262 ± 0.0002 Å
c	11.5335 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	692.96 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	2
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.264
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103005.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103005.cif
13744	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103005 via cif-deposit CGI script.	8103005.cif