Information card for entry 7705418

Structure parameters

• Formula: C Ba I N O
• Calculated formula: C Ba I N O
• Title of publication: Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).
• Authors of publication: Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 14133 - 14139
• a: 8.54524 ± 0.00004 Å
• b: 4.74622 ± 0.00002 Å
• c: 11.60133 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 470.522 ± 0.004 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor R(I) for significantly intense reflections: 1.2922
• Goodness-of-fit parameter for all reflections: 1.0586
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKalpha1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No