Crystallography Open Database

Information card for entry 4512108

Preview

Coordinates	4512108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H4 Li N O4 S
Calculated formula	H4 Li N O4 S
Title of publication	Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering
Authors of publication	Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	5784
a	10.193 ± 0.002 Å
b	4.9967 ± 0.001 Å
c	17.127 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	872.3 ± 0.3 Å³
Cell temperature	300 ± 0.5 K
Ambient diffraction temperature	300 ± 0.5 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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