Crystallography Open Database

Information card for entry 7061000

Preview

Coordinates	7061000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs Li5 O12 S3
Calculated formula	Cs Li5 O12 S3
Title of publication	Li5Cs(SO4)3: a potential zero-order wave plate material with short deep-ultraviolet cutoff edge
Authors of publication	Yan, Yuchen; Chen, Yanna; Jiang, Bao; Jing, Qun; Zhang, Jun
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	42
Pages of publication	19883 - 19888
a	4.93 ± 0.0015 Å
b	15.558 ± 0.005 Å
c	14.566 ± 0.005 Å
α	90°
β	91.349 ± 0.004°
γ	90°
Cell volume	1116.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0585
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
270471 (current)	2021-11-06	cif/ Updating files of 7061000 Original log message: Adding full bibliography for 7061000.cif.	7061000.cif
269870	2021-10-09	cif/ Adding structures of 7061000 via cif-deposit CGI script.	7061000.cif