Information card for entry 4031569

Structure parameters

• Chemical name: K4 Na7 ((Si Fe3 W9 (O H)3 O34)2 (O H)3) O40.8
• Formula: Fe6 H9 K4 Na7 O117.8 Si2 W18
• Calculated formula: Fe6 K4 Na7 O117.8 Si2 W18
• SMILES: O=[W]1234O[W]567([O]84[Si]49[O]%10%11[Fe]%12%13%14%15O[Fe]%16%17%18%19[O]=[W]%20%21(=O)(O[W](=O)(=[O]%16)(O[W]%16%10(=O)(O[W]%11(=O)(O[W]%10%11([O]%229[Fe](O%17)([O]=[W]%22(O%21)(=O)(O%10)O5)(O%14)([O]=%11)O[Fe]59%10%11O[Fe]%14%17%21([O]%22%23[W]%24%25(=O)(O[W]%26%27%28(O[W]%29%30%31(=O)[O]%32%28[Si]%28%22[O]%22%33[W]%34(=O)(O[W]%33(=O)(=[O][Fe]%22([O]=%34)(O%12)(O%14)O9)(O[W]9%12([O]5%28[W](O%24)(=O)(O[W]%32(O%27)(O%30)(O9)=O)(O%12)=[O]%11)(=O)=[O]%10)O%31)(O[W]%23(=O)(O%26)(=[O]%17)O%25)O%29)=O)=[O]%21)O%18)(=O)O7)(=[O]%15)O[W]8(=O)(O%16)(O2)O6)=[O]%13)(O3)[O]4%19%20)O1)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[Na+].[Na+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Structural and Electrochemical Studies of Dimerization and Rotational Isomerization in Multi-Iron Silicotungstates
• Authors of publication: Anderson, T.M.; Ammam, M.; Cao, R.; Neiwert, W.A.; Hardcastle, K.I.; Hill, C.L.; Nadjo, L.; Keita, B.
• Journal of publication: European Journal of Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 2005
• Pages of publication: 1770 - 1775
• a: 12.9709 Å
• b: 38.72 Å
• c: 21.4221 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10758.9 ų
• Number of distinct elements: 7
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No