Crystallography Open Database

Information card for entry 7715512

Preview

Coordinates	7715512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cr I3 O9
Calculated formula	Cr I3 O9
Title of publication	Chromium iodate: the structure and origin of optical second harmonic generation.
Authors of publication	Chi, Yang; Xin, Mei-Ling
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	16
Pages of publication	7093 - 7099
a	9.1319 ± 0.0004 Å
b	9.1319 ± 0.0004 Å
c	5.2815 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	381.43 ± 0.03 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	3
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7715512.html