Crystallography Open Database

Information card for entry 4304448

Preview

Coordinates	4304448.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Strontium Barium Bismuthide
Formula	Ba0.86 Bi3 Sr1.14
Calculated formula	Ba0.86 Bi3 Sr1.14
Title of publication	Cation Substitution Effects in the System Sr2-xBaxBi3 (0 <= x <= 1.3): Structural Distortions Induced by Chemical Pressure
Authors of publication	Sung-Jin Kim; Simeon Ponou; Thomas F. Fässler
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3594 - 3602
a	15.881 ± 0.003 Å
b	6.8883 ± 0.0014 Å
c	6.704 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	733.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
179082 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/44.	4304448.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304448.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304448.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304448.cif