Crystallography Open Database

Information card for entry 1562791

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Coordinates	1562791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H3 Li O5 S
Calculated formula	H3 Li O5 S
Title of publication	Synthesis, structural characterization and high pressure phase transitions of monolithium hydronium sulfate
Authors of publication	Banerjee, Debasis; Plonka, Anna M.; Kim, Sun Jin; Xu, Wenqian; Parise, John B.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	197
Pages of publication	181 - 185
a	8.7785 ± 0.0012 Å
b	9.1297 ± 0.0012 Å
c	5.2799 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	423.16 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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