Crystallography Open Database

Information card for entry 8105475

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Coordinates	8105475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al H27 O21 S2
Calculated formula	Al H27 O21 S2
Title of publication	The crystal structure of oxonium hexaquaaluminium disulfate hexahydrate
Authors of publication	Liu, Yan; Hao, Min; Gao, Jianfeng; Liu, Jianghui; Cui, Juan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1393 - 1394
a	12.2403 ± 0.0014 Å
b	12.2403 ± 0.0014 Å
c	12.2403 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1833.9 ± 0.4 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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