Crystallography Open Database

Information card for entry 2021884

2021883 << 2021884 >> 2021885

Preview

Coordinates	2021884.cif
Original IUCr paper	HTML

Structure parameters

Formula	H3.94 Li N0.984 O4 S Yb0.005
Calculated formula	H3.938 Li N0.9845 O4 S Yb0.00525
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	17.856 ± 0.008 Å
b	5.008 ± 0.003 Å
c	10.264 ± 0.013 Å
α	90°
β	106.46 ± 0.05°
γ	90°
Cell volume	880.2 ± 1.3 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	0.0671
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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.	2021884.cif