Information card for entry 2013240

Structure parameters

• Common name: Niobium chloride
• Chemical name: Potassium yttrium hexaniobium octadecachloride
• Formula: Cl18 K Nb6 Y
• Calculated formula: Cl18 K Nb6 Y
• Title of publication: Potassium yttrium hexaniobium octadecachloride, KYNb~6~Cl~18~
• Authors of publication: Duraisamy, Thirumalai; Lachgar, Abdessadek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: i27 - i28
• a: 9.2527 ± 0.0006 Å
• b: 9.2527 ± 0.0006 Å
• c: 25.41 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1884 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes