Crystallography Open Database

Information card for entry 1549468

Preview

Coordinates	1549468.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Sodium Acetate
Chemical name	Sodium Acetate
Formula	C2 H3 Na O2
Calculated formula	C2 H3 Na O2
Title of publication	New Polymorphs of the Phase-Change Material Sodium Acetate
Authors of publication	Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss
Journal of publication	Crystals
Year of publication	2018
Journal volume	8
Pages of publication	213
a	4.156 ± 0.003 Å
b	4.156 Å
c	10.053 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	173.64 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.027
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.7752
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
288647 (current)	2024-01-03	Updated the '_space_group_name_H-M_alt' data item value in entry 1549468.	1549468.cif
288642	2024-01-03	Changed data name '_iucr_instruction_details' to '_iucr_refine_instructions_details' in multiple entries.	1549468.cif
207994	2018-05-28	cif/ Adding structures of 1549468 via cif-deposit CGI script.	1549468.cif