Information card for entry 1561756

Structure parameters

• Common name: diiron heptaboride
• Chemical name: diiron heptaboride
• Formula: B7 Fe2
• Calculated formula: B7 Fe2
• Title of publication: Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
• Authors of publication: Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 230
• Pages of publication: 102 - 109
• a: 16.9005 ± 0.001 Å
• b: 10.6248 ± 0.0002 Å
• c: 2.8834 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 517.76 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 3400000 kPa
• Number of distinct elements: 2
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for significantly intense reflections: 1.87
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41441 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No