Information card for entry 2238575

Structure parameters

• Chemical name: Hexacopper(II) calcium/yttrium tris(arsenate/phosphate) hexahydroxide trihydrate
• Formula: As2.48 Ca0.31 Cu5.7 H12 O21 P0.51 Y0.69
• Calculated formula: As2.484 Ca0.31 Cu5.7 O20.9998 P0.516 Y0.69
• Title of publication: Agardite-(Y), Cu^2+^~6~Y(AsO~4~)~3~(OH)~6~·3H~2~O
• Authors of publication: Morrison, Shaunna M.; Domanik, Kenneth J.; Origlieri, Marcus J.; Downs, Robert T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: i61 - i62
• a: 13.5059 ± 0.0005 Å
• b: 13.5059 ± 0.0005 Å
• c: 5.8903 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 930.5 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes