Crystallography Open Database

Information card for entry 2021885

2021884 << 2021885 >> 2021886

Preview

Coordinates	2021885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H3.843 Li N0.961 O4 S Yb0.013
Calculated formula	Li N0.961 O4 S Yb0.01305
Title of publication	Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+
Authors of publication	Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.
Journal of publication	Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Year of publication	2017
Journal volume	73
Journal issue	1
Pages of publication	122
a	10.177 ± 0.015 Å
b	5.106 ± 0.004 Å
c	34.234 ± 0.016 Å
α	90°
β	90.2 ± 0.1°
γ	90°
Cell volume	1779 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246089 (current)	2019-12-26	cif/ Adding structures of 2021884, 2021885 via cif-deposit CGI script.	2021885.cif