Information card for entry 1545111

Structure parameters

• Common name: Barium
• Chemical name: BaIVb at high pressure of 16.5 GPa
• Formula: Ba
• Calculated formula: Ba1.25
• SMILES: [Ba]
• Title of publication: Incommensurate atomic density waves in the high-pressure IVb phase of barium
• Authors of publication: Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais
• Journal of publication: IUCrJ
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 152 - 157
• a: 11.608 Å
• b: 11.634 Å
• c: 4.634 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 625.81 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Cell measurement pressure: 16.5 kPa
• Ambient diffracton pressure: 16.5 kPa
• Number of distinct elements: 1
• Space group number: 14
• Hermann-Mauguin space group symbol: P 21/b 1 1
• Hall space group symbol: -P 2xab
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for significantly intense reflections: 4.93
• Goodness-of-fit parameter for all reflections included in the refinement: 4.93
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.4151 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No