Information card for entry 2014306

Structure parameters

• Common name: Calcium sodium vanadate phosphate whitlockite
• Chemical name: Calcium sodium vanadate phosphate
• Formula: Ca8.42 Na1.16 O28 P7 V
• Calculated formula: Ca8.418 Na1.164 O28 P7 V
• Title of publication: A new whitlockite, Ca~8.42~Na~1.16~V(PO~4~)~7~
• Authors of publication: Alexander A. Tsirlin; Evgeniy V. Dikarev; Roman V. Shpanchenko; Evgeny V. Antipov
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: i13 - i15
• a: 10.3273 ± 0.0003 Å
• b: 10.3273 ± 0.0003 Å
• c: 37.098 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3426.5 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.016
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes