Crystallography Open Database

Information card for entry 2108015

Preview

Coordinates	2108015.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	rubidium hydrogen sulfate
Formula	H O4 Rb S
Calculated formula	H O4 Rb S
SMILES	[Rb+].S(=O)(=O)(O)[O-]
Title of publication	Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate
Authors of publication	Binns, Jack; McIntyre, Garry J.; Parsons, Simon
Journal of publication	Acta Crystallographica Section B
Year of publication	2016
Journal volume	72
Journal issue	6
Pages of publication	855 - 863
a	14.3602 ± 0.0019 Å
b	4.6156 ± 0.0006 Å
c	14.413 ± 0.002 Å
α	90°
β	118.069 ± 0.008°
γ	90°
Cell volume	842.9 ± 0.2 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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 for all reflections	0.0837
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for all reflections	0.1318
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	0.9097
Diffraction radiation wavelength	0.85 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188820 (current)	2016-12-02	cif/ hkl/ Adding structures of 2108013, 2108014, 2108015, 2108016, 2108017, 2108018, 2108019, 2108020, 2108021 via cif-deposit CGI script.	2108015.cif