Crystallography Open Database

Information card for entry 7246355

Preview

Coordinates	7246355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H6 La3 Na3 O27 S6
Calculated formula	La3 Na3 O27 S6
Title of publication	Highlights on the reversible nonpolar-to-polar <i>P</i>3<sub>1</sub>21-<i>P</i>3<sub>1</sub> phase transition at low temperature in NaLa(SO<sub>4</sub>)<sub>2</sub>·H<sub>2</sub>O: mechanism and piezoelectric properties.
Authors of publication	Azeroual, H.; Bantignies, J.-L.; Maurin, D.; Granier, D.; Haines, J.; Cambon, O.; Hermet, P.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	11
Pages of publication	8168 - 8179
a	7.0227 ± 0.0005 Å
b	7.0227 ± 0.0005 Å
c	12.945 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	552.89 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.015
Residual factor for significantly intense reflections	0.015
Weighted residual factors for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
283509 (current)	2023-05-05	cif/ Updating files of 7246355 Original log message: Adding full bibliography for 7246355.cif.	7246355.cif
281176	2023-02-28	cif/ Adding structures of 7246355 via cif-deposit CGI script.	7246355.cif