Crystallography Open Database

Information card for entry 7246996

Preview

Coordinates	7246996.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	iodate
Chemical name	Cesium Tantale Iodate
Formula	Cs3 I8 O24 Ta
Calculated formula	Cs3 I8 O24 Ta
Title of publication	New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction
Authors of publication	Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	30
Pages of publication	4364 - 4369
a	8.07743 ± 0.0001 Å
b	8.07743 ± 0.0001 Å
c	23.4262 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1323.67 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
286115 (current)	2023-09-05	cif/ Updating files of 7246996 Original log message: Adding full bibliography for 7246996.cif.	7246996.cif
285070	2023-07-07	cif/ Adding structures of 7246996 via cif-deposit CGI script.	7246996.cif