Crystallography Open Database

Information card for entry 4031565

Preview

Coordinates	4031565.cif

Structure parameters

Chemical name	P2 W15 (Ti O2)3 O56 (O H)3 Na9 O16
Formula	H3 Na9 O81 P2 Ti3 W15
Calculated formula	Na9 O81 P2 Ti3 W15
SMILES	[W]1234(O[W]567([O]8=P9%10[O]%11[W]%12%13(O[W]%14%15%11(=O)O[W]%11%16%17(=O)O[W]%18%19%20(O[W]%21%22%23(O[W]%24(=[O][Ti]%25%26%27(O[Ti]%28%29%30(OO%28)([O]%28%27P([O]%27[W](O%18)(O[W]%27(=O)(=[O][Ti]%18%28(OO%18)(O%26)([O]=1)O%30)(O%12)O4)(=[O]%29)(=O)O%15)([O]2%24)=[O]%19%23)[O]=%20)(OO%25)O%21)(O[W]18(=O)(O[W]24(O[W](O%11)(=O)([O]9%16)(O1)O%22)(O[W]1(=O)(O[W](O2)(O%13)([O]%1041)(=O)O6)(O%14)O%17)=O)O7)(=O)O3)=O)=O)(O5)=O)=O)=O.O.O.O.[Na+].[Na+].O.O.[Na+].[Na+].O.[Na+].O.O.O.O.O.[Na+].O.O.[Na+].[Na+].[Na+].O.O.O
Title of publication	Isolation
Authors of publication	Sakai, Y.; Yoza, K.; Kitakoga, Y.; Hayashi, K.; Nomiya, K.
Journal of publication	European Journal of Inorganic Chemistry
Year of publication	2004
Journal volume	2004
Pages of publication	4646 - 4652
a	23.118 Å
b	15.2478 Å
c	24.967 Å
α	90°
β	100.247°
γ	90°
Cell volume	8660.46 Å³
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
161271 (current)	2015-10-09	cif/ Adding structures of 4031565 via cif-deposit CGI script.	4031565.cif