Crystallography Open Database

Information card for entry 2311740

Preview

Coordinates	2311740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba0.47 Nb2 O6 Sr0.53
Calculated formula	Ba0.4784 Nb2 O6 Sr0.52328
Title of publication	Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating.
Authors of publication	Graetsch, Heribert A.
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	820 - 826
a	12.4629 ± 0.0003 Å
b	12.4629 ± 0.0003 Å
c	7.9032 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1227.56 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	100
Hermann-Mauguin space group symbol	P 4 b m (a,b,2*c)
Hall space group symbol	P 4 -2ab (x,y,1/2*z)
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for significantly intense reflections	1.47
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
246098 (current)	2019-12-26	cif/ Adding structures of 2311739, 2311740 via cif-deposit CGI script.	2311740.cif