Crystallography Open Database

Information card for entry 4003531

Preview

Coordinates	4003531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag3 I12 In3 O36
Calculated formula	Ag3 I12 In3 O36
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	7.342 ± 0.0015 Å
b	15.218 ± 0.003 Å
c	14.997 ± 0.003 Å
α	90°
β	101.01 ± 0.03°
γ	90°
Cell volume	1644.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0543
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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.	4003531.cif
251436	2020-05-04	cif/ Updating files of 4003530, 4003531, 4003532, 4003533, 4003534 Original log message: Adding full bibliography for 4003530--4003534.cif.	4003531.cif
250891	2020-04-17	cif/ Adding structures of 4003530, 4003531, 4003532, 4003533, 4003534 via cif-deposit CGI script.	4003531.cif