Information card for entry 1532777

Structure parameters

• Chemical name: Na8 (Ti2 Nb8 O28) (H2 O)34
• Formula: H68 Na8 Nb8 O62 Ti2
• Calculated formula: Na8 Nb8 O62 Ti2
• SMILES: [O]12345[Nb]678(O[Nb]9%103(=O)O[Ti]3%11%125[O]5[Nb]1([O]1[Nb]%13%145([O]5%15%163[Nb]3(O[Nb]%17%15(=O)(O[Ti]41%16([O]1[Nb]5([O]%11[Nb]21(O7)(=O)O%10)(O3)(O%17)=O)O8)O%14)(O%13)(=O)O%12)=O)(O6)(O9)=O)=O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O
• Title of publication: Synthesis, structure and molecular modeling of a titanoniobate isopolyanion
• Authors of publication: Nyman, M.; Bonhomme, F.; Criscenti, L.J.; Rodriguez, M.A.; Cygan, R.T.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2003
• Journal volume: 176
• Pages of publication: 111 - 119
• a: 11.829 Å
• b: 12.205 Å
• c: 12.532 Å
• α: 97.666°
• β: 113.84°
• γ: 110.809°
• Cell volume: 1463.54 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No