Information card for entry 7030194

Structure parameters

• Formula: Ba8 Rh2.74 Si42.61
• Calculated formula: Ba8 Rh2.7402 Si42.604
• Title of publication: Synthesis, crystal structure and physical properties of the clathrate-I phase Ba(8)Rh(x)Si(46-x-y□y).
• Authors of publication: Jung, Walter; Kessens, Heike; Ormeci, Alim; Schnelle, Walter; Burkhardt, Ulrich; Borrmann, Horst; Nguyen, Hong Duong; Baitinger, Michael; Grin, Yuri
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 45
• Pages of publication: 13960 - 13968
• a: 10.347 ± 0.001 Å
• b: 10.347 ± 0.001 Å
• c: 10.347 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1107.75 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.560871 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No