Information card for entry 2108050

Structure parameters

• Formula: C2 Ca K0.36 Na1.64 O6
• Calculated formula: C2 Ca K0.36 Na1.64 O6
• Title of publication: Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~
• Authors of publication: Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 276 - 284
• a: 5.062 ± 0.0004 Å
• b: 8.79 ± 0.0007 Å
• c: 12.744 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 567.04 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.323
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes