Crystallography Open Database

Information card for entry 4106584

Preview

Coordinates	4106584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi I O4
Calculated formula	Bi I O4
Title of publication	BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response
Authors of publication	Sau Doan Nguyen; Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12422 - 12425
a	5.6584 ± 0.0004 Å
b	11.0386 ± 0.0008 Å
c	5.7476 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	359 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0193
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106584.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106584.cif
53386	2012-04-19	cif/ Adding structures of 4106584 via cif-deposit CGI script.	4106584.cif