Crystallography Open Database

Information card for entry 1526717

Preview

Coordinates	1526717.cif

Structure parameters

Chemical name	K4.5 Na4 (H3 O)3.5 (Ce (Si W11 O39)2) (H2 O)23
Formula	Ce H56.5 K4.5 Na4 O104.5 Si2 W22
Calculated formula	Ce K4.5 Na4 O104.5 Si2 W22
SMILES	[K+].O.O=[W]1234O[W]567(=O)O[W]89%10(=O)O[W]%11%12(O6)(=O)O[W]6%13%14(=O)[O]%15%16[Si]%17([O]58%11)[O]5[W]8%11(O[W]%18%15(=O)(O6)O[W]6(=O)(O2)(O8)O[W](O9)(O4)(=O)([O]16%17)O[W]%16(O%13)(O%18)(O%10)=O)(=O)=[O][Ce]124([O]=3)([O]=7)([O]=[W]5(O%14)(O%12)(O%11)=O)[O]=[W]356(=O)[O]7[Si]89[O]%10%11[W]%12%13(=O)(=[O]4)O[W]4%14%10(=O)O[W]%10%15%16(=O)O[W]%17%18(O4)(=O)O[W]4(=O)(O5)(O[W](=O)(=[O]1)([O]49%17)(O%13)O%18)O[W]1(O%10)(=O)(O3)[O]8%15[W]3(O1)(O%16)(=O)O[W]%11(O%12)(O%14)(=O)O[W]7(=[O]2)(O6)(O3)=O.[K+].[K+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Synthesis and crystal structure of cerium heteropolyoxotungstate K4.5 Na4 (H3 O)3.5 (Ce (Si W11 O39)2) * 23(H2 O)
Authors of publication	Sun, R.-Q.; Zhao, S.-L.; Zhang, H.-H.; Huang, C.-C.; Zheng, X.-L.
Journal of publication	Jiegon Huaxue
Year of publication	2001
Journal volume	20
Pages of publication	413 - 417
a	16.531 Å
b	23.193 Å
c	12.764 Å
α	99.74°
β	91.9°
γ	94.84°
Cell volume	4800.42 Å³
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
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.	1526717.cif
147958	2015-07-12	cif/ Adding structures of 1526717 via cif-deposit CGI script.	1526717.cif