Information card for entry 2018770

Structure parameters

• Chemical name: decacalcium hexakis[chromate(V)] chromate(VI)
• Formula: Ca10 Cr7 O28
• Calculated formula: Ca10 Cr7 O28
• Title of publication: Ca~10~(Cr^V^O~4~)~6~(Cr^VI^O~4~), a disordered mixed-valence chromium compound exhibiting inversion twinning
• Authors of publication: Gyepesová, Dalma; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 111 - 113
• a: 10.758 ± 0.0001 Å
• b: 10.758 ± 0.0001 Å
• c: 38.073 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3816.02 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes