Information card for entry 7243467

Structure parameters

• Formula: C4 Ca3 K2 O12
• Calculated formula: C4 Ca3 K2 O12
• Title of publication: High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4
• Authors of publication: Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 38
• Pages of publication: 6675 - 6681
• a: 7.3905 ± 0.0002 Å
• b: 8.8156 ± 0.0003 Å
• c: 16.4817 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1073.81 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for significantly intense reflections: 1.351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No