Crystallography Open Database

Information card for entry 1530612

Preview

Coordinates	1530612.cif

Structure parameters

Chemical name	Na2 S (D2 O)9
Formula	D18 Na2 O9 S
Calculated formula	D18 Na2 O9 S
SMILES	O([2H])[2H].[Na+].O([2H])[2H].O([2H])([2H]).[Na+].O([2H])[2H].O([2H])[2H].[S-2].O([2H])[2H].O([2H])[2H].O([2H])[2H].O([2H])[2H]
Title of publication	Hydrogen bonds in Na2 S (D2 O)9: Neutron diffraction, x-ray diffraction and vibrational spectroscopic studies
Authors of publication	Preisinger, A.; Baumgartner, O.; Mereiter, K.; Heger, G.; Steidl, H.; Mikenda, W.
Journal of publication	Inorganica Chimica Acta
Year of publication	1982
Journal volume	57
Pages of publication	237 - 246
a	9.337 Å
b	9.337 Å
c	12.783 Å
α	90°
β	90°
γ	90°
Cell volume	1114.42 Å³
Number of distinct elements	4
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
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.	1530612.cif
155747	2015-09-09	cif/ Adding structures of 1530612 via cif-deposit CGI script.	1530612.cif