Crystallography Open Database

Information card for entry 2300673

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Structure parameters

Formula	Cu K0.67 O5.33 S1.33
Calculated formula	Cu K0.666667 O5.33333 S1.33333
Title of publication	Expanding the family of mineral-like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities
Authors of publication	Borisov, Artem S.; Siidra, Oleg I.; Kovrugin, Vadim M.; Golov, Andrey A.; Depmeier, Wulf; Nazarchuk, Evgeny V.; Holzheid, Astrid
Journal of publication	Journal of Applied Crystallography
Year of publication	2021
Journal volume	54
Journal issue	1
Pages of publication	237 - 250
a	13.6088 ± 0.0005 Å
b	11.9627 ± 0.0005 Å
c	17.0791 ± 0.0007 Å
α	90°
β	112.45 ± 0.001°
γ	90°
Cell volume	2569.72 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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