Information card for entry 2218271

Structure parameters

• Chemical name: sodium tetraborate decahydrate
• Mineral name: Borax
• Formula: B4 H20 Na2 O17
• Calculated formula: B4 H20 Na2 O17
• SMILES: [Na+].[Na+].O1[B]2(OB(O)O[B]1(OB(O2)O)O)O.O.O.O.O.O.O.O.O
• Title of publication: Redetermination of the borax structure from laboratory X-ray data at 145 K
• Authors of publication: Gainsford, Graeme J.; Kemmitt, Tim; Higham, Caleb
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: i24 - i25
• a: 11.8843 ± 0.0005 Å
• b: 10.6026 ± 0.0004 Å
• c: 12.2111 ± 0.0005 Å
• α: 90°
• β: 106.79 ± 0.002°
• γ: 90°
• Cell volume: 1473.06 ± 0.1 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes