Crystallography Open Database

Information card for entry 4003497

Preview

Coordinates	4003497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I4 O12 Sn
Calculated formula	I4 O12 Sn
Title of publication	Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2
Authors of publication	Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning
Journal of publication	Chemistry of Materials
Year of publication	2020
Journal volume	32
Journal issue	6
Pages of publication	2615 - 2620
a	5.0576 ± 0.0005 Å
b	6.2808 ± 0.0006 Å
c	8.3865 ± 0.0008 Å
α	87.68 ± 0.002°
β	88.647 ± 0.001°
γ	89.031 ± 0.001°
Cell volume	266.08 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.264
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
257100 (current)	2020-10-04	cif/ Updating files of 4003497, 4003498 Original log message: Adding full bibliography for 4003497--4003498.cif.	4003497.cif
250049	2020-04-04	cif/ Updating files of 4003497, 4003498 Original log message: Adding full bibliography for 4003497--4003498.cif.	4003497.cif
249330	2020-03-13	cif/ Adding structures of 4003497 via cif-deposit CGI script.	4003497.cif