Crystallography Open Database

Information card for entry 7709388

Preview

Coordinates	7709388.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-Cupperborosulfate
Chemical name	beta-Copper(II) Borosulfate
Formula	B2 Cu O16 S4
Calculated formula	B2 Cu O16 S4
Title of publication	Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].
Authors of publication	Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	8
Pages of publication	3104 - 3115
a	7.72629 ± 0.00012 Å
b	8.13137 ± 0.00012 Å
c	9.06641 ± 0.0001 Å
α	90°
β	111.132 ± 0.0007°
γ	90°
Cell volume	531.295 ± 0.013 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor R(I) for significantly intense reflections	0.0042
Goodness-of-fit parameter for all reflections	1.82
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273361 (current)	2022-03-05	cif/ Updating files of 7709384, 7709385, 7709386, 7709387, 7709388, 7709389, 7709390, 7709391 Original log message: Adding full bibliography for 7709384--7709391.cif.	7709388.cif
272332	2022-01-29	cif/ Adding structures of 7709388 via cif-deposit CGI script.	7709388.cif