Crystallography Open Database

Information card for entry 4343907

Preview

Coordinates	4343907.cif
External links	PubChem

Structure parameters

Chemical name	K2 (Cu (H2 O)6) (S O4)2
Formula	Cu H12 K2 O14 S2
Calculated formula	Cu H12 K2 O14 S2
Title of publication	Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio
Authors of publication	Simmons, C.J.; Stratemeier, H.; Riley, M.J.; Hitchman, M.A.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	1021 - 1031
a	9.0462 Å
b	12.0492 Å
c	6.1368 Å
α	90°
β	104.354°
γ	90°
Cell volume	648.025 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4343907.cif
176429	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.	4343907.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4343907.cif
151650	2015-07-14	cif/ Adding structures of 4343907 via cif-deposit CGI script.	4343907.cif