Information card for entry 7720346

Structure parameters

• Common name: potassium calcium copper oxyphosphate
• Formula: Ca0.87 Cu6.13 K2 O18 P4
• Calculated formula: Ca0.876 Cu6.124 K2 O18 P4
• Title of publication: Crystal structure and physical properties of shchurovskyite-related K₂CaCu₆O₂(PO₄)₄.
• Authors of publication: Kiriukhina, G. V.; Yakubovich, O. V.; Shvanskaya, L. V.; Vasiliev, A. N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 4951 - 4960
• a: 8.3527 ± 0.0003 Å
• b: 5.6597 ± 0.0002 Å
• c: 16.8327 ± 0.0006 Å
• α: 90°
• β: 94.605 ± 0.004°
• γ: 90°
• Cell volume: 793.18 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No