Crystallography Open Database

Information card for entry 2107364

Preview

Coordinates	2107364.cif

Structure parameters

Chemical name	K Na22 (Cl (C O3)2 (S O4)9)
Formula	C2 Cl K Na22 O42 S9
Calculated formula	C2 Cl K Na22 O42 S9
SMILES	[Na+].C([O-])(=O)[O-].[Na+].O=S([O-])([O-])=O.[Na+].[Na+].[Na+].[O-]S(=O)(=O)[O-].[Na+].O=S([O-])([O-])=O.[Na+].O=S([O-])([O-])=O.[Na+].O=S(=O)([O-])[O-].[Na+].O=S(=O)([O-])[O-].[Na+].[O-]S([O-])(=O)=O.[Na+].[Na+].[Na+].[O-]C(=O)[O-].[Na+].[Na+].O=S([O-])([O-])=O.[Na+].[O-]S(=O)(=O)[O-].[Na+].[K+].[Cl-].[Na+].[Na+].[Na+].[Na+].[Na+]
Title of publication	The crystal structure of hansakite, K Na22 (Cl (C O3)2 (S O4)9) and its relation to the K2 S O4 I structure type
Authors of publication	Kato, K.; Saalfeld, H.
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1972
Journal volume	28
Pages of publication	3614 - 3617
a	10.49 Å
b	10.49 Å
c	21.24 Å
α	90°
β	90°
γ	120°
Cell volume	2024.12 Å³
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	2107364.cif
173258	2016-01-03	cif/ Adding structures of 2107364 via cif-deposit CGI script.	2107364.cif