Information card for entry 2104040

Structure parameters

• Formula: Na O6 Si2 Ti
• Calculated formula: Na O6 Si2 Ti
• Title of publication: Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K)
• Authors of publication: Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: 730 - 746
• a: 5.2993 ± 0.0016 Å
• b: 6.5396 ± 0.0019 Å
• c: 6.6 ± 0.002 Å
• α: 84.7 ± 0.02°
• β: 77.7 ± 0.02°
• γ: 77.75 ± 0.02°
• Cell volume: 218.12 ± 0.12 ų
• Cell temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes