Crystallography Open Database

Information card for entry 1565960

Preview

Coordinates	1565960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H2 Ni O5 S
Calculated formula	H2 Ni O5 S
Title of publication	Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K
Authors of publication	Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald
Journal of publication	IUCrJ
Year of publication	2022
Journal volume	9
Journal issue	2
Pages of publication	194 - 203
a	6.7999 ± 0.0008 Å
b	7.6222 ± 0.0006 Å
c	7.4405 ± 0.0009 Å
α	90°
β	117.579 ± 0.015°
γ	90°
Cell volume	341.82 ± 0.08 Å³
Cell temperature	45 ± 2 K
Ambient diffraction temperature	45 ± 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	0.0212
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0513
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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