Information card for entry 2233440

Structure parameters

• Chemical name: (sodium magnesium) [magnesium iron(III) silicon] disilicate
• Formula: Fe0.17 Mg0.46 Na0.97 O6 Si2.4
• Calculated formula: Fe0.17 Mg0.46 Na0.97 O6 Si2.4
• Title of publication: High-pressure synthetic (Na~0.97~Mg~0.03~)(Mg~0.43~Fe~0.17~^3+^Si~0.40~)Si~2~O~6~, with six-coordinated silicon, isostructural with <i>P</i>2/<i>n</i> omphacite
• Authors of publication: Posner, Esther S.; Konzett, Jürgen; Frost, Daniel J.; Downs, Robert T.; Yang, Hexiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: i18
• a: 9.4432 ± 0.0008 Å
• b: 8.6457 ± 0.0007 Å
• c: 5.254 ± 0.0005 Å
• α: 90°
• β: 108.003 ± 0.006°
• γ: 90°
• Cell volume: 407.95 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes