Crystallography Open Database

Information card for entry 2021890

2021889 << 2021890 >> 2021891

Preview

Coordinates	2021890.cif
Original IUCr paper	HTML

Structure parameters

Formula	B2 O5 Sr2
Calculated formula	B2 O5 Sr2
Title of publication	Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Authors of publication	Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Journal of publication	Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Year of publication	2017
Journal volume	73
Journal issue	6
Pages of publication	1056
a	3.882 ± 0.002 Å
b	5.3386 ± 0.001 Å
c	11.875 ± 0.002 Å
α	90°
β	92.64 ± 0.02°
γ	90°
Cell volume	245.84 ± 0.14 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0331
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for significantly intense reflections	1.2
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246113 (current)	2019-12-26	cif/ Adding structures of 2021889, 2021890, 2021891, 2021892, 2021893 via cif-deposit CGI script.	2021890.cif