Crystallography Open Database

Information card for entry 2020957

2020956 << 2020957 >> 2020958

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Coordinates	2020957.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Lithium bromide dihydrate
Formula	Br H4 Li O2
Calculated formula	Br H4 Li O2
SMILES	O.O.[Br-].[Li+]
Title of publication	Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Authors of publication	Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	2
a	5.3001 ± 0.0011 Å
b	6.397 ± 0.0019 Å
c	6.406 ± 0.0015 Å
α	63.694 ± 0.01°
β	82.044 ± 0.007°
γ	65.567 ± 0.005°
Cell volume	177 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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