Crystallography Open Database

Information card for entry 4003532

Preview

Coordinates	4003532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag3 I6 In O18
Calculated formula	Ag3 I6 In O18
Title of publication	Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates
Authors of publication	Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min
Journal of publication	Chemistry of Materials
Year of publication	2020
Journal volume	32
Journal issue	8
Pages of publication	3621 - 3630
a	8.116 ± 0.0016 Å
b	10.426 ± 0.002 Å
c	11.11 ± 0.002 Å
α	75.09 ± 0.03°
β	89.91 ± 0.03°
γ	76.2 ± 0.03°
Cell volume	880.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257099 (current)	2020-10-04	cif/ Updating files of 4003530, 4003531, 4003532, 4003533, 4003534 Original log message: Adding full bibliography for 4003530--4003534.cif.	4003532.cif
251436	2020-05-04	cif/ Updating files of 4003530, 4003531, 4003532, 4003533, 4003534 Original log message: Adding full bibliography for 4003530--4003534.cif.	4003532.cif
250891	2020-04-17	cif/ Adding structures of 4003530, 4003531, 4003532, 4003533, 4003534 via cif-deposit CGI script.	4003532.cif