Crystallography Open Database

Information card for entry 8103027

Preview

Coordinates	8103027.cif

Structure parameters

Formula	Ba Si6
Calculated formula	Ba Si6
Title of publication	Refinement of the crystal structure of barium hexasilicide, BaSi6
Authors of publication	Aron Wosylus; Roman Demchyna; Yurii Prots; Walter Schnelle; Ulrich Schwarz
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	347
a	4.4789 ± 0.0002 Å
b	10.3679 ± 0.0005 Å
c	11.9634 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	555.54 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	2
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.555
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.	8103027.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103027.cif
13766	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103027 via cif-deposit CGI script.	8103027.cif