Crystallography Open Database

Information card for entry 2021891

2021890 << 2021891 >> 2021892

Preview

Coordinates	2021891.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	9.4662 ± 0.0011 Å
b	13.2754 ± 0.0007 Å
c	11.8671 ± 0.0016 Å
α	88.815 ± 0.011°
β	91.651 ± 0.011°
γ	91.473 ± 0.011°
Cell volume	1489.9 ± 0.3 Å³
Cell temperature	583 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1299
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0402
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for significantly intense reflections	1.22
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation probe	x-ray
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
246113 (current)	2019-12-26	cif/ Adding structures of 2021889, 2021890, 2021891, 2021892, 2021893 via cif-deposit CGI script.	2021891.cif