Information card for entry 2109102

Structure parameters

• Formula: C7 Ca0 K11 O21
• Calculated formula: C7 K11 O21
• Title of publication: Novel dense crystal structure of high-pressure synthetic K8Ca3(CO3)7 as described through cation-carbon nets
• Authors of publication: Likhacheva, Anna Yu.; Rashchenko, Sergey V.; Ignatov, Mark A.; Romanenko, Alexandr V.; Shatsky, Anton F.
• Journal of publication: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
• Year of publication: 2025
• Journal volume: 81
• Pages of publication: 466
• a: 7.1358 ± 0.0003 Å
• b: 16.3645 ± 0.0009 Å
• c: 16.366 ± 0.001 Å
• α: 60.025 ± 0.006°
• β: 89.996 ± 0.004°
• γ: 89.971 ± 0.004°
• Cell volume: 1655.5 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1927
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for significantly intense reflections: 1.5652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No