Crystallography Open Database

Information card for entry 7709387

Preview

Coordinates	7709387.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	alpha-Cupperborosulfate
Chemical name	alpha-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	5.26356 ± 0.00015 Å
b	7.1449 ± 0.0002 Å
c	7.9352 ± 0.0002 Å
α	73.6982 ± 0.0016°
β	70.7367 ± 0.0018°
γ	86.677 ± 0.002°
Cell volume	270.192 ± 0.013 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor R(I) for significantly intense reflections	0.0052
Goodness-of-fit parameter for all reflections	1.99
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.	7709387.cif
272331	2022-01-29	cif/ Adding structures of 7709387 via cif-deposit CGI script.	7709387.cif