Crystallography Open Database

Information card for entry 2107368

Preview

Coordinates	2107368.cif

Structure parameters

Chemical name	Na3 Sb S4 (D2 O)9
Formula	D18 Na3 O9 S4 Sb
Calculated formula	D18 Na3 O9 S4 Sb
SMILES	O([2H])[2H].O([2H])([2H]).[Na+].[Na+].[Na+].O([2H])[2H].O([2H])[2H].[S]=[Sb]([S-])([S-])[S-].O([2H])[2H].O([2H])[2H].O([2H])[2H].O([2H])[2H].O([2H])[2H]
Title of publication	Hydrogen Bonds in Schlippe's Salt: Refinement of the Crystal Structures of Na3 Sb S4 (H2 O)9 by X-Ray Diffraction and Na3 Sb S4 (D2 O)9 by Neutron Diffractionat Room Temperature
Authors of publication	Mereiter, K.; Preisinger, A.; Guth, H.
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1979
Journal volume	35
Pages of publication	19 - 25
a	11.959 Å
b	11.959 Å
c	11.959 Å
α	90°
β	90°
γ	90°
Cell volume	1710.35 Å³
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
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.	2107368.cif
173281	2016-01-03	cif/ Adding structures of 2107368 via cif-deposit CGI script.	2107368.cif