Crystallography Open Database

Information card for entry 7128916

Preview

Coordinates	7128916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I Na7 O15 S3
Calculated formula	I Na7 O15 S3
Title of publication	Na<sub>7</sub>(IO<sub>3</sub>)(SO<sub>4</sub>)<sub>3</sub>: the first noncentrosymmetric alkaline-metal iodate-sulfate with isolated [IO<sub>3</sub>] and [SO<sub>4</sub>] units.
Authors of publication	Ding, Mengmeng; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	75
Pages of publication	9598 - 9601
a	6.839 ± 0.003 Å
b	10.851 ± 0.005 Å
c	18.519 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1374.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
269643 (current)	2021-10-06	cif/ Updating files of 7128916 Original log message: Adding full bibliography for 7128916.cif.	7128916.cif
268330	2021-09-01	cif/ Adding structures of 7128916 via cif-deposit CGI script.	7128916.cif