Information card for entry 2012743

Structure parameters

• Common name: Niobium chloride
• Chemical name: Dipotassium strontium hexaniobium octadecachloride
• Formula: Cl18 K2 Nb6 Sr
• Calculated formula: Cl18 K2 Nb6 Sr
• SMILES: [Nb]123([Cl][Nb]45([Cl][Nb]6([Cl]3)([Cl][Nb]3([Cl][Nb]([Cl]6)([Cl]5)([Cl][Nb]([Cl]2)([Cl]3)([Cl]4)Cl)Cl)([Cl]1)Cl)Cl)Cl)Cl.[Sr+2].[K+].[K+]
• Title of publication: K~2~SrNb~6~Cl~18~, dipotassium strontium hexaniobium octadecachloride
• Authors of publication: Duraisamy, Thirumalai; Lachgar, Abdessadek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: i85 - i86
• a: 9.3025 ± 0.0008 Å
• b: 9.3025 ± 0.0008 Å
• c: 25.9412 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1944.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes