Crystallography Open Database

Information card for entry 1570283

Preview

Coordinates	1570283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl F6 Na21 O28 S7
Calculated formula	Cl F6 Na21 O28 S7
Title of publication	Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability
Authors of publication	Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.
Journal of publication	Symmetry
Year of publication	2023
Journal volume	15
Journal issue	10
Pages of publication	1871
a	7.0714 ± 0.0002 Å
b	7.0714 ± 0.0002 Å
c	19.5972 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	848.66 ± 0.05 Å³
Cell temperature	600 ± 0.4 K
Ambient diffraction temperature	600 ± 0.4 K
Number of distinct elements	5
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287467 (current)	2023-11-07	cif/ Adding structures of 1570283 via cif-deposit CGI script.	1570283.cif