Information card for entry 2018787

Structure parameters

• Chemical name: Copper scandium zirconium phosphate
• Formula: Cu1.92 O12 P3 Sc Zr
• Calculated formula: Cu1.926 O12 P3 Sc Zr
• Title of publication: Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K
• Authors of publication: Bond, Andrew D.; Warner, Terence E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 105 - 110
• a: 8.9206 ± 0.0007 Å
• b: 8.9206 ± 0.0007 Å
• c: 22.071 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1521 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes