Information card for entry 2005671

Structure parameters

• Formula: Al2 Er6 H117 Na8 Nb30 O149.5
• Calculated formula: Al2 Er6 Na8 Nb30 O149.25
• SMILES: [O]12[Er]34567([O]8[Al]9%10%11([O]%12[Er]%13%14%1518([OH2])[O]18[Nb]%16%17%18%19=[O][Er]%20%21%22%23%24([O]%25%26[Er]%27%282%12([O]39)([OH2])[O]2[Nb]39%25(=[O]%15)O[Nb]%12%15%25(=O)O[Nb]%29%30%31(=O)O[Nb]%32%33%26(=[O][Er]%26%34%35%36%37([O]%20[Er]%20%388([O]8[Nb]%39%401(=[O]5)O[Nb]15%41(=O)O[Nb]%42%43(=O)(O%16)O[Nb](=O)([O]%13%17)([O]%14%39)(O1)[O]%18%40%41%43[Nb]8(O%42)(O5)(=O)[O]%19%38)([O]%26[Al]15([O]%21%34)([O]%22%20)[O]8[Nb]%13%14%16(=O)[O]5[Nb]5%17%18(=O)[O]1[Nb]1%198(=O)O[Nb]8%20(=O)(O%13)O[Nb]%13(=O)(O1)(O5)O[Nb](=O)(O%17)(O%14)(O8)[O]%16%18%19%20%13)([OH2])[O]=[Nb]158%13[O]6%35[Nb]6%14%16([O]4[Nb]4%17(=O)([O]75)O[Nb]57(=O)(O1)O[Nb]1(=O)(O6)(O4)O[Nb](=O)([O]%368)([O]%37%14)(O5)[O]%13%16%1771)=[O]%27)[OH2])[O]%28[Nb]2(=O)(O%29)(O%12)[O]9%25%31%33[Nb](=O)([O]%23%32)([O]%243)(O%30)O%15)[OH2])[O]1[Nb]234(=O)[O]%11[Nb]567(=O)[O]%10[Nb]891(=O)O[Nb]1%10(=O)(O2)O[Nb]2(=O)(O8)(O5)O[Nb](=O)(O6)(O3)(O1)[O]479%102)[OH2].[Na+].O.O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Na~8~H~18~[{Er~3~O(OH)~3~(H~2~O)~3~}~2~Al~2~-(Nb~6~O~19~)~5~].40.5H~2~O
• Authors of publication: Naruke, H.; Yamase, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2655 - 2660
• a: 28.01 ± 0.01 Å
• b: 28.22 ± 0.02 Å
• c: 19.24 ± 0.01 Å
• α: 107.04 ± 0.06°
• β: 93.75 ± 0.06°
• γ: 130.71 ± 0.02°
• Cell volume: 10308 ± 14 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.098
• Goodness-of-fit parameter for significantly intense reflections: 3.53
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No